4-[[cyclopropyl-(4-methylsulfonylbenzoyl)amino]methyl]-N-methylbenzamide

C20H22N2O4S — CID 33351444

IUPAC4-[[cyclopropyl-(4-methylsulfonylbenzoyl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C(=O)c2ccc(S(C)(=O)=O)cc2)C2CC2)cc1
InChIInChI=1S/C20H22N2O4S/c1-21-19(23)15-5-3-14(4-6-15)13-22(17-9-10-17)20(24)16-7-11-18(12-8-16)27(2,25)26/h3-8,11-12,17H,9-10,13H2,1-2H3,(H,21,23)
InChIKeyCBTIXTUQVZEGKM-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.25
Rot. Bonds6

About 4-[[cyclopropyl-(4-methylsulfonylbenzoyl)amino]methyl]-N-methylbenzamide

4-[[cyclopropyl-(4-methylsulfonylbenzoyl)amino]methyl]-N-methylbenzamide (PubChem CID 33351444) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 4-[[cyclopropyl-(4-methylsulfonylbenzoyl)amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[cyclopropyl-(4-methylsulfonylbenzoyl)amino]methyl]-N-methylbenzamide
PubChem CID33351444
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name4-[[cyclopropyl-(4-methylsulfonylbenzoyl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C(=O)c2ccc(S(C)(=O)=O)cc2)C2CC2)cc1
InChIInChI=1S/C20H22N2O4S/c1-21-19(23)15-5-3-14(4-6-15)13-22(17-9-10-17)20(24)16-7-11-18(12-8-16)27(2,25)26/h3-8,11-12,17H,9-10,13H2,1-2H3,(H,21,23)
InChIKeyCBTIXTUQVZEGKM-UHFFFAOYSA-N
XLogP2.25
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[cyclopropyl-[4-(trifluoromethylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide
CID 37154016
N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide
CID 32589766
4-[[benzoyl(cyclopropyl)amino]methyl]-N-methylbenzamide
CID 33351912
N-cyclopropyl-5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 33351813
N-cyclopropyl-3,4,5-triethoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 33351847
4-chloro-N-cyclopropyl-3-iodo-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 39881157
4-[[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-cyclopropylamino]methyl]-N-methylbenzamide
CID 34181015
5-bromo-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 33352211
N-(2-chloroethyl)-N-cyclopropyl-4-methylsulfonylbenzamide
CID 63394709
5-bromo-2-chloro-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 33352305
N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 33349813
N-benzyl-N-cyclopropyl-4-(methanesulfonamido)benzamide
CID 38253884

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl-(4-methylsulfonylbenzoyl)amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[cyclopropyl-(4-methylsulfonylbenzoyl)amino]methyl]-N-methylbenzamide (CID 33351444) is 4-[[cyclopropyl-(4-methylsulfonylbenzoyl)amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[cyclopropyl-(4-methylsulfonylbenzoyl)amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[cyclopropyl-(4-methylsulfonylbenzoyl)amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C(=O)c2ccc(S(C)(=O)=O)cc2)C2CC2)cc1.
What is the InChIKey of 4-[[cyclopropyl-(4-methylsulfonylbenzoyl)amino]methyl]-N-methylbenzamide?
The InChIKey is CBTIXTUQVZEGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-21-19(23)15-5-3-14(4-6-15)13-22(17-9-10-17)20(24)16-7-11-18(12-8-16)27(2,25)26/h3-8,11-12,17H,9-10,13H2,1-2H3,(H,21,23).
What are the key properties of 4-[[cyclopropyl-(4-methylsulfonylbenzoyl)amino]methyl]-N-methylbenzamide?
4-[[cyclopropyl-(4-methylsulfonylbenzoyl)amino]methyl]-N-methylbenzamide has a molecular weight of 386.47 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl-(4-methylsulfonylbenzoyl)amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 33351444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).