N-cyclobutylsulfonyl-4-(phenylcarbamoylamino)benzamide

C18H19N3O4S — CID 154864345

IUPACN-cyclobutylsulfonyl-4-(phenylcarbamoylamino)benzamide
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)NS(=O)(=O)C2CCC2)cc1
InChIInChI=1S/C18H19N3O4S/c22-17(21-26(24,25)16-7-4-8-16)13-9-11-15(12-10-13)20-18(23)19-14-5-2-1-3-6-14/h1-3,5-6,9-12,16H,4,7-8H2,(H,21,22)(H2,19,20,23)
InChIKeyCNUAZKMZFXXDKX-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.94
Rot. Bonds5

About N-cyclobutylsulfonyl-4-(phenylcarbamoylamino)benzamide

N-cyclobutylsulfonyl-4-(phenylcarbamoylamino)benzamide (PubChem CID 154864345) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-cyclobutylsulfonyl-4-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-cyclobutylsulfonyl-4-(phenylcarbamoylamino)benzamide
PubChem CID154864345
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-cyclobutylsulfonyl-4-(phenylcarbamoylamino)benzamide
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)NS(=O)(=O)C2CCC2)cc1
InChIInChI=1S/C18H19N3O4S/c22-17(21-26(24,25)16-7-4-8-16)13-9-11-15(12-10-13)20-18(23)19-14-5-2-1-3-6-14/h1-3,5-6,9-12,16H,4,7-8H2,(H,21,22)(H2,19,20,23)
InChIKeyCNUAZKMZFXXDKX-UHFFFAOYSA-N
XLogP2.94
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-4-ylsulfonyl)benzamide
CID 47479884
cyclopentanesulfonamide;N-phenylbenzamide
CID 174727310
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride
CID 119457174
4-[(2-hydroxycyclopentanecarbonyl)amino]-N-phenylbenzamide
CID 110015510
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330
4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532549
N-methoxy-4-(phenylcarbamoylamino)benzamide
CID 33101054
N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 17234281
N-(2-hydroxyphenyl)-4-(phenylcarbamoylamino)benzamide
CID 46665388
4-[cyclopentyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656046

Frequently Asked Questions

What is the IUPAC name of N-cyclobutylsulfonyl-4-(phenylcarbamoylamino)benzamide?
The IUPAC name of N-cyclobutylsulfonyl-4-(phenylcarbamoylamino)benzamide (CID 154864345) is N-cyclobutylsulfonyl-4-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for N-cyclobutylsulfonyl-4-(phenylcarbamoylamino)benzamide?
The canonical SMILES for N-cyclobutylsulfonyl-4-(phenylcarbamoylamino)benzamide is O=C(Nc1ccccc1)Nc1ccc(C(=O)NS(=O)(=O)C2CCC2)cc1.
What is the InChIKey of N-cyclobutylsulfonyl-4-(phenylcarbamoylamino)benzamide?
The InChIKey is CNUAZKMZFXXDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c22-17(21-26(24,25)16-7-4-8-16)13-9-11-15(12-10-13)20-18(23)19-14-5-2-1-3-6-14/h1-3,5-6,9-12,16H,4,7-8H2,(H,21,22)(H2,19,20,23).
What are the key properties of N-cyclobutylsulfonyl-4-(phenylcarbamoylamino)benzamide?
N-cyclobutylsulfonyl-4-(phenylcarbamoylamino)benzamide has a molecular weight of 373.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutylsulfonyl-4-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 154864345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).