N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide

C19H22N2O4S — CID 55470366

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
SMILESCOc1ccc(C(NC(=O)c2cccc(NS(C)(=O)=O)c2)C2CC2)cc1
InChIInChI=1S/C19H22N2O4S/c1-25-17-10-8-14(9-11-17)18(13-6-7-13)20-19(22)15-4-3-5-16(12-15)21-26(2,23)24/h3-5,8-13,18,21H,6-7H2,1-2H3,(H,20,22)
InChIKeyDMGZYFBHKGRXBR-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.95
Rot. Bonds7

About N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide

N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide (PubChem CID 55470366) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
PubChem CID55470366
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
SMILESCOc1ccc(C(NC(=O)c2cccc(NS(C)(=O)=O)c2)C2CC2)cc1
InChIInChI=1S/C19H22N2O4S/c1-25-17-10-8-14(9-11-17)18(13-6-7-13)20-19(22)15-4-3-5-16(12-15)21-26(2,23)24/h3-5,8-13,18,21H,6-7H2,1-2H3,(H,20,22)
InChIKeyDMGZYFBHKGRXBR-UHFFFAOYSA-N
XLogP2.95
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275
3-(methanesulfonamido)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 28566637
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,4-difluorobenzamide
CID 46571976
N-(3,5-dimethoxyphenyl)-3-(methanesulfonamido)benzamide
CID 18106096
4-[4-[[cyclopropyl-(4-methoxyphenyl)methyl]carbamoyl]phenoxy]benzamide
CID 56545772
N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide
CID 78829079
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 38468848
N-[(R)-cyclopentyl(phenyl)methyl]-4-methoxybenzamide
CID 978301
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
3-(methanesulfonamido)-N-(3-methylbutan-2-yl)benzamide
CID 43016598
N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide
CID 33457615
N-(1-cyclopropylethyl)-3-(methanesulfonamido)-N-methylbenzamide
CID 42951669

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide (CID 55470366) is N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide is COc1ccc(C(NC(=O)c2cccc(NS(C)(=O)=O)c2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide?
The InChIKey is DMGZYFBHKGRXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-25-17-10-8-14(9-11-17)18(13-6-7-13)20-19(22)15-4-3-5-16(12-15)21-26(2,23)24/h3-5,8-13,18,21H,6-7H2,1-2H3,(H,20,22).
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide?
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide has a molecular weight of 374.46 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide is sourced from PubChem (CID 55470366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).