3-(cyclopentylsulfamoyl)-4-methoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide

C20H25N3O4S — CID 27739768

IUPAC3-(cyclopentylsulfamoyl)-4-methoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](C)c2ccncc2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C20H25N3O4S/c1-14(15-9-11-21-12-10-15)22-20(24)16-7-8-18(27-2)19(13-16)28(25,26)23-17-5-3-4-6-17/h7-14,17,23H,3-6H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyKPSYMZPBRHAQQE-CQSZACIVSA-N
MW403.50 g/mol
LogP2.80
Rot. Bonds7

About 3-(cyclopentylsulfamoyl)-4-methoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide

3-(cyclopentylsulfamoyl)-4-methoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide (PubChem CID 27739768) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-4-methoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-4-methoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide
PubChem CID27739768
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name3-(cyclopentylsulfamoyl)-4-methoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](C)c2ccncc2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C20H25N3O4S/c1-14(15-9-11-21-12-10-15)22-20(24)16-7-8-18(27-2)19(13-16)28(25,26)23-17-5-3-4-6-17/h7-14,17,23H,3-6H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyKPSYMZPBRHAQQE-CQSZACIVSA-N
XLogP2.80
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopentylsulfamoyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46530018
3-(cyclopropylsulfamoyl)-4-methoxy-N-(1-pyridin-3-ylethyl)benzamide
CID 18163128
3-(cyclopropylsulfamoyl)-4-methoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 55619767
N-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119586321
(2S)-2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-3-methylbutanoic acid
CID 119360553
3-(cyclopropylsulfamoyl)-N-[(1R)-1-(furan-2-yl)ethyl]-4-methoxybenzamide
CID 9453559
4-(cyclopropylsulfamoyl)-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 30332182
3-(cyclopentylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-4-methoxybenzamide
CID 26102322
3-(cyclopentylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 2579929
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
3-methoxy-4-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 18160597
3-(cyclopentylsulfamoyl)-4-methoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 35031433

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-4-methoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide?
The IUPAC name of 3-(cyclopentylsulfamoyl)-4-methoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide (CID 27739768) is 3-(cyclopentylsulfamoyl)-4-methoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-4-methoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-4-methoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide is COc1ccc(C(=O)N[C@H](C)c2ccncc2)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-4-methoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide?
The InChIKey is KPSYMZPBRHAQQE-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-14(15-9-11-21-12-10-15)22-20(24)16-7-8-18(27-2)19(13-16)28(25,26)23-17-5-3-4-6-17/h7-14,17,23H,3-6H2,1-2H3,(H,22,24)/t14-/m1/s1.
What are the key properties of 3-(cyclopentylsulfamoyl)-4-methoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide?
3-(cyclopentylsulfamoyl)-4-methoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide has a molecular weight of 403.50 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-4-methoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide is sourced from PubChem (CID 27739768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).