N-[(4-cycloheptyloxy-3-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide

C25H30N2O4S2 — CID 26282283

IUPACN-[(4-cycloheptyloxy-3-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
SMILESCOc1cc(CN(Cc2ccccn2)S(=O)(=O)c2cccs2)ccc1OC1CCCCCC1
InChIInChI=1S/C25H30N2O4S2/c1-30-24-17-20(13-14-23(24)31-22-10-4-2-3-5-11-22)18-27(19-21-9-6-7-15-26-21)33(28,29)25-12-8-16-32-25/h6-9,12-17,22H,2-5,10-11,18-19H2,1H3
InChIKeyBUIVYCVRZXQXCK-UHFFFAOYSA-N
MW486.66 g/mol
LogP5.64
Rot. Bonds9

About N-[(4-cycloheptyloxy-3-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide

N-[(4-cycloheptyloxy-3-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 26282283) has the molecular formula C25H30N2O4S2 and a molecular weight of 486.66 g/mol. Its IUPAC name is N-[(4-cycloheptyloxy-3-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-cycloheptyloxy-3-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID26282283
Molecular FormulaC25H30N2O4S2
Molecular Weight486.66 g/mol
Exact Mass486.16
IUPAC NameN-[(4-cycloheptyloxy-3-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
SMILESCOc1cc(CN(Cc2ccccn2)S(=O)(=O)c2cccs2)ccc1OC1CCCCCC1
InChIInChI=1S/C25H30N2O4S2/c1-30-24-17-20(13-14-23(24)31-22-10-4-2-3-5-11-22)18-27(19-21-9-6-7-15-26-21)33(28,29)25-12-8-16-32-25/h6-9,12-17,22H,2-5,10-11,18-19H2,1H3
InChIKeyBUIVYCVRZXQXCK-UHFFFAOYSA-N
XLogP5.64
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 42406466
2,6-difluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 45173406
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 26330935
N-[[4-methoxy-3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 26333291
(2S)-1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenoxy]propan-2-ol
CID 42530651
1-N-cyclohexyl-4-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-methyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 1168573
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[[3-methoxy-4-[2-(thiolan-2-yl)ethoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 170691277
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 42701827
1-cyclopentyloxy-4-(isocyanatomethyl)-2-methoxybenzene
CID 117370516
N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]thiophene-2-sulfonamide
CID 42540428
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide
CID 55822339
N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]cyclobutanecarboxamide
CID 42278052

Frequently Asked Questions

What is the IUPAC name of N-[(4-cycloheptyloxy-3-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of N-[(4-cycloheptyloxy-3-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide (CID 26282283) is N-[(4-cycloheptyloxy-3-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-cycloheptyloxy-3-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[(4-cycloheptyloxy-3-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide is COc1cc(CN(Cc2ccccn2)S(=O)(=O)c2cccs2)ccc1OC1CCCCCC1.
What is the InChIKey of N-[(4-cycloheptyloxy-3-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is BUIVYCVRZXQXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4S2/c1-30-24-17-20(13-14-23(24)31-22-10-4-2-3-5-11-22)18-27(19-21-9-6-7-15-26-21)33(28,29)25-12-8-16-32-25/h6-9,12-17,22H,2-5,10-11,18-19H2,1H3.
What are the key properties of N-[(4-cycloheptyloxy-3-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide?
N-[(4-cycloheptyloxy-3-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 486.66 g/mol, XLogP of 5.64, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cycloheptyloxy-3-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 26282283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).