N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-1-methoxyethanesulfonamide

C24H29N3O6S — CID 152505868

IUPACN-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-1-methoxyethanesulfonamide
SMILESCOC(C)S(=O)(=O)Nc1cccc(-c2ccc(C(=O)N3CCN(C(=O)C4(O)CC4)CC3)cc2)c1
InChIInChI=1S/C24H29N3O6S/c1-17(33-2)34(31,32)25-21-5-3-4-20(16-21)18-6-8-19(9-7-18)22(28)26-12-14-27(15-13-26)23(29)24(30)10-11-24/h3-9,16-17,25,30H,10-15H2,1-2H3
InChIKeyYELHDLWXPATWQX-UHFFFAOYSA-N
MW487.58 g/mol
LogP1.90
Rot. Bonds7

About N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-1-methoxyethanesulfonamide

N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-1-methoxyethanesulfonamide (PubChem CID 152505868) has the molecular formula C24H29N3O6S and a molecular weight of 487.58 g/mol. Its IUPAC name is N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-1-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-1-methoxyethanesulfonamide
PubChem CID152505868
Molecular FormulaC24H29N3O6S
Molecular Weight487.58 g/mol
Exact Mass487.18
IUPAC NameN-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-1-methoxyethanesulfonamide
SMILESCOC(C)S(=O)(=O)Nc1cccc(-c2ccc(C(=O)N3CCN(C(=O)C4(O)CC4)CC3)cc2)c1
InChIInChI=1S/C24H29N3O6S/c1-17(33-2)34(31,32)25-21-5-3-4-20(16-21)18-6-8-19(9-7-18)22(28)26-12-14-27(15-13-26)23(29)24(30)10-11-24/h3-9,16-17,25,30H,10-15H2,1-2H3
InChIKeyYELHDLWXPATWQX-UHFFFAOYSA-N
XLogP1.90
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]oxolane-3-sulfonamide
CID 118633907
N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclobutanecarboxamide
CID 118633865
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275791
N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclohexanecarboxamide
CID 118633902
N-[3-[4-[4-(3-aminooxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanesulfonamide
CID 118633893
[4-(1-hydroxycyclopentanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275794
[4-[3-(cyclobutylsulfonylmethyl)phenyl]phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 160911410
N-[4-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide
CID 118633911
[4-(2-fluoro-3-methoxyphenyl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 86272213
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone
CID 86273883
[4-(3-chloro-2-methoxyphenyl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 118621876
N-hydroxy-N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide
CID 139377421

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-1-methoxyethanesulfonamide?
The IUPAC name of N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-1-methoxyethanesulfonamide (CID 152505868) is N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-1-methoxyethanesulfonamide.
What is the SMILES notation for N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-1-methoxyethanesulfonamide?
The canonical SMILES for N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-1-methoxyethanesulfonamide is COC(C)S(=O)(=O)Nc1cccc(-c2ccc(C(=O)N3CCN(C(=O)C4(O)CC4)CC3)cc2)c1.
What is the InChIKey of N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-1-methoxyethanesulfonamide?
The InChIKey is YELHDLWXPATWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6S/c1-17(33-2)34(31,32)25-21-5-3-4-20(16-21)18-6-8-19(9-7-18)22(28)26-12-14-27(15-13-26)23(29)24(30)10-11-24/h3-9,16-17,25,30H,10-15H2,1-2H3.
What are the key properties of N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-1-methoxyethanesulfonamide?
N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-1-methoxyethanesulfonamide has a molecular weight of 487.58 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-1-methoxyethanesulfonamide is sourced from PubChem (CID 152505868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).