3-(cyclopropylsulfamoyl)-4-methoxy-N-(1-pyridin-3-ylethyl)benzamide

C18H21N3O4S — CID 18163128

IUPAC3-(cyclopropylsulfamoyl)-4-methoxy-N-(1-pyridin-3-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NC(C)c2cccnc2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C18H21N3O4S/c1-12(14-4-3-9-19-11-14)20-18(22)13-5-8-16(25-2)17(10-13)26(23,24)21-15-6-7-15/h3-5,8-12,15,21H,6-7H2,1-2H3,(H,20,22)
InChIKeyBLLDJUUCAMPQMW-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.02
Rot. Bonds7

About 3-(cyclopropylsulfamoyl)-4-methoxy-N-(1-pyridin-3-ylethyl)benzamide

3-(cyclopropylsulfamoyl)-4-methoxy-N-(1-pyridin-3-ylethyl)benzamide (PubChem CID 18163128) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-4-methoxy-N-(1-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-4-methoxy-N-(1-pyridin-3-ylethyl)benzamide
PubChem CID18163128
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name3-(cyclopropylsulfamoyl)-4-methoxy-N-(1-pyridin-3-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NC(C)c2cccnc2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C18H21N3O4S/c1-12(14-4-3-9-19-11-14)20-18(22)13-5-8-16(25-2)17(10-13)26(23,24)21-15-6-7-15/h3-5,8-12,15,21H,6-7H2,1-2H3,(H,20,22)
InChIKeyBLLDJUUCAMPQMW-UHFFFAOYSA-N
XLogP2.02
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopentylsulfamoyl)-4-methoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 27739768
3-(diethylsulfamoyl)-4-methoxy-N-(1-pyridin-3-ylethyl)benzamide
CID 18162957
3-(cyclopropylsulfamoyl)-N-[(1R)-1-(furan-2-yl)ethyl]-4-methoxybenzamide
CID 9453559
3-(cyclopropylsulfamoyl)-4-methoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 55619767
3-(cyclopentylsulfamoyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46530018
(2S)-2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-3-methylbutanoic acid
CID 119360553
3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 18163096
2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]butanoic acid
CID 119223228
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate
CID 55563330
3-(cyclopentylsulfamoyl)-4-methoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 35031433
N-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119586321
3-(cyclopropylsulfamoyl)-4-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 46554772

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-4-methoxy-N-(1-pyridin-3-ylethyl)benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-4-methoxy-N-(1-pyridin-3-ylethyl)benzamide (CID 18163128) is 3-(cyclopropylsulfamoyl)-4-methoxy-N-(1-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-4-methoxy-N-(1-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-4-methoxy-N-(1-pyridin-3-ylethyl)benzamide is COc1ccc(C(=O)NC(C)c2cccnc2)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-4-methoxy-N-(1-pyridin-3-ylethyl)benzamide?
The InChIKey is BLLDJUUCAMPQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-12(14-4-3-9-19-11-14)20-18(22)13-5-8-16(25-2)17(10-13)26(23,24)21-15-6-7-15/h3-5,8-12,15,21H,6-7H2,1-2H3,(H,20,22).
What are the key properties of 3-(cyclopropylsulfamoyl)-4-methoxy-N-(1-pyridin-3-ylethyl)benzamide?
3-(cyclopropylsulfamoyl)-4-methoxy-N-(1-pyridin-3-ylethyl)benzamide has a molecular weight of 375.45 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-4-methoxy-N-(1-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 18163128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).