3-(cyclopropylsulfamoyl)-4-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide

C22H26N2O4S — CID 17468943

IUPAC3-(cyclopropylsulfamoyl)-4-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C22H26N2O4S/c1-28-19-11-8-16(14-20(19)29(26,27)24-18-9-10-18)21(25)23-15-22(12-5-13-22)17-6-3-2-4-7-17/h2-4,6-8,11,14,18,24H,5,9-10,12-13,15H2,1H3,(H,23,25)
InChIKeyBOPYCDYOMWWQIU-UHFFFAOYSA-N
MW414.53 g/mol
LogP2.99
Rot. Bonds8

About 3-(cyclopropylsulfamoyl)-4-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide

3-(cyclopropylsulfamoyl)-4-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide (PubChem CID 17468943) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-4-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-4-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide
PubChem CID17468943
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name3-(cyclopropylsulfamoyl)-4-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C22H26N2O4S/c1-28-19-11-8-16(14-20(19)29(26,27)24-18-9-10-18)21(25)23-15-22(12-5-13-22)17-6-3-2-4-7-17/h2-4,6-8,11,14,18,24H,5,9-10,12-13,15H2,1H3,(H,23,25)
InChIKeyBOPYCDYOMWWQIU-UHFFFAOYSA-N
XLogP2.99
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylsulfamoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-methoxybenzamide
CID 18155370
3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249130
3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119502368
3-(cyclopropylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 9439194
3-(cyclopentylsulfamoyl)-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-methoxybenzamide
CID 27740220
3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119501094
cis-(1R,3S)-3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677585
3-(cyclopentylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 2579929
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
3,4-dimethoxy-N-[4-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]benzamide
CID 2960603
N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 124727033
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-phenylcyclobutyl)methyl]benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-4-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide (CID 17468943) is 3-(cyclopropylsulfamoyl)-4-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-4-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-4-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide is COc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-4-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide?
The InChIKey is BOPYCDYOMWWQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-28-19-11-8-16(14-20(19)29(26,27)24-18-9-10-18)21(25)23-15-22(12-5-13-22)17-6-3-2-4-7-17/h2-4,6-8,11,14,18,24H,5,9-10,12-13,15H2,1H3,(H,23,25).
What are the key properties of 3-(cyclopropylsulfamoyl)-4-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide?
3-(cyclopropylsulfamoyl)-4-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide has a molecular weight of 414.53 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-4-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide is sourced from PubChem (CID 17468943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).