methane;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-5-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide

C81H80N12O10S3 — CID 157161305

IUPACmethane;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-5-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide
SMILESC.CC(=O)CCc1cccc(CN(Cc2ccc(-c3cncnc3)cc2)S(=O)(=O)c2ccccn2)c1.CC(=O)CCc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2cccnc2)c1.CC(=O)COc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2ccccn2)c1
InChIInChI=1S/2C27H26N4O3S.C26H24N4O4S.CH4/c1-21(32)8-9-22-5-2-6-24(17-22)20-31(35(33,34)26-7-3-14-28-18-26)19-23-10-12-25(13-11-23)27-29-15-4-16-30-27;1-21(32)8-9-22-5-4-6-24(15-22)19-31(35(33,34)27-7-2-3-14-30-27)18-23-10-12-25(13-11-23)26-16-28-20-29-17-26;1-20(31)19-34-24-7-4-6-22(16-24)18-30(35(32,33)25-8-2-3-13-27-25)17-21-9-11-23(12-10-21)26-28-14-5-15-29-26;/h2-7,10-18H,8-9,19-20H2,1H3;2-7,10-17,20H,8-9,18-19H2,1H3;2-16H,17-19H2,1H3;1H4
InChIKeyAMKFIVAAJWHNRL-UHFFFAOYSA-N
MW1477.81 g/mol
LogP13.44
Rot. Bonds30

About methane;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-5-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide

methane;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-5-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide (PubChem CID 157161305) has the molecular formula C81H80N12O10S3 and a molecular weight of 1477.81 g/mol. Its IUPAC name is methane;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-5-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Namemethane;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-5-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide
PubChem CID157161305
Molecular FormulaC81H80N12O10S3
Molecular Weight1477.81 g/mol
Exact Mass1476.53
IUPAC Namemethane;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-5-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide
SMILESC.CC(=O)CCc1cccc(CN(Cc2ccc(-c3cncnc3)cc2)S(=O)(=O)c2ccccn2)c1.CC(=O)CCc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2cccnc2)c1.CC(=O)COc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2ccccn2)c1
InChIInChI=1S/2C27H26N4O3S.C26H24N4O4S.CH4/c1-21(32)8-9-22-5-2-6-24(17-22)20-31(35(33,34)26-7-3-14-28-18-26)19-23-10-12-25(13-11-23)27-29-15-4-16-30-27;1-21(32)8-9-22-5-4-6-24(15-22)19-31(35(33,34)27-7-2-3-14-30-27)18-23-10-12-25(13-11-23)26-16-28-20-29-17-26;1-20(31)19-34-24-7-4-6-22(16-24)18-30(35(32,33)25-8-2-3-13-27-25)17-21-9-11-23(12-10-21)26-28-14-5-15-29-26;/h2-7,10-18H,8-9,19-20H2,1H3;2-7,10-17,20H,8-9,18-19H2,1H3;2-16H,17-19H2,1H3;1H4
InChIKeyAMKFIVAAJWHNRL-UHFFFAOYSA-N
XLogP13.44
TPSA288.59 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds30
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001477.81
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze methane;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-5-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide with MolForge

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Related Compounds

(3-{[(Pyridine-2-sulfonyl)-(4-pyrimidin-2-yl-benzyl)-amino]-methyl}-phenoxy)-acetic acid tert-butyl ester
CID 54239766
N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide
CID 57940807
N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide
CID 57940847
4-chloro-N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]benzenesulfonamide;2-chloro-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide
CID 90699384
4-chloro-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-3-ylphenyl)methyl]benzenesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]benzenesulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-sulfonamide
CID 90879394
N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide
CID 91346839
N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide
CID 91506824
N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide
CID 157090117
bis(2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylphenyl)guanidine);N-[C-[(4,6-dimethylpyrimidin-2-yl)methyl]-N-(4-phenylmethoxyphenyl)carbonimidoyl]-2-phenylbutanamide;N-[1-(4,6-dimethylpyrimidin-2-yl)-3-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]-4-methylbenzenesulfonamide;1-(4,6-dimethylpyrimidin-2-yl)-2-(pyridin-3-ylmethyl)guanidine
CID 157707370
1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)-3-(4-methylphenyl)propan-2-imine;2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylphenyl)guanidine;N-[C-[(4,6-dimethylpyrimidin-2-yl)methyl]-N-(4-phenylmethoxyphenyl)carbonimidoyl]-2-phenylbutanamide;N-[1-(4,6-dimethylpyrimidin-2-yl)-3-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]-4-methylbenzenesulfonamide;1-(4,6-dimethylpyrimidin-2-yl)-2-(pyridin-3-ylmethyl)guanidine;methane
CID 157799169
N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide
CID 158378219
N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide
CID 159168276

Frequently Asked Questions

What is the IUPAC name of methane;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-5-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide?
The IUPAC name of methane;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-5-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide (CID 157161305) is methane;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-5-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide.
What is the SMILES notation for methane;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-5-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide?
The canonical SMILES for methane;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-5-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide is C.CC(=O)CCc1cccc(CN(Cc2ccc(-c3cncnc3)cc2)S(=O)(=O)c2ccccn2)c1.CC(=O)CCc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2cccnc2)c1.CC(=O)COc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2ccccn2)c1.
What is the InChIKey of methane;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-5-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide?
The InChIKey is AMKFIVAAJWHNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H26N4O3S.C26H24N4O4S.CH4/c1-21(32)8-9-22-5-2-6-24(17-22)20-31(35(33,34)26-7-3-14-28-18-26)19-23-10-12-25(13-11-23)27-29-15-4-16-30-27;1-21(32)8-9-22-5-4-6-24(15-22)19-31(35(33,34)27-7-2-3-14-30-27)18-23-10-12-25(13-11-23)26-16-28-20-29-17-26;1-20(31)19-34-24-7-4-6-22(16-24)18-30(35(32,33)25-8-2-3-13-27-25)17-21-9-11-23(12-10-21)26-28-14-5-15-29-26;/h2-7,10-18H,8-9,19-20H2,1H3;2-7,10-17,20H,8-9,18-19H2,1H3;2-16H,17-19H2,1H3;1H4.
What are the key properties of methane;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-5-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide?
methane;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-5-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide has a molecular weight of 1477.81 g/mol, XLogP of 13.44, 30 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-5-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 157161305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).