N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide

C18H18N2O4S — CID 18132726

IUPACN-[4-(cyclopropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C18H18N2O4S/c1-25(23,24)16-5-3-2-4-15(16)18(22)20-13-8-6-12(7-9-13)17(21)19-14-10-11-14/h2-9,14H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyLNFCZCMXBGRJGE-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.23
Rot. Bonds5

About N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide

N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide (PubChem CID 18132726) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(cyclopropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide
PubChem CID18132726
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-[4-(cyclopropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C18H18N2O4S/c1-25(23,24)16-5-3-2-4-15(16)18(22)20-13-8-6-12(7-9-13)17(21)19-14-10-11-14/h2-9,14H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyLNFCZCMXBGRJGE-UHFFFAOYSA-N
XLogP2.23
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-methylsulfonylbenzamide
CID 8701377
4-[(2-methylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229153
N-[4-(cyclopropylcarbamoyl)phenyl]-2-phenylbenzamide
CID 51299795
N-[4-(2-methylpropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide
CID 87026481
ethyl 4-[(2-methylsulfonylbenzoyl)amino]benzoate
CID 7267042
4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043399
2-methylsulfonyl-N-pyrrolidin-3-ylbenzamide
CID 119450814
4-benzamido-N-cyclopentylbenzamide
CID 1262350
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
1-N-cyclopropyl-4-N-[3-(methanesulfonamido)phenyl]benzene-1,4-dicarboxamide
CID 166185447
N-[4-(cyclopropylcarbamoyl)phenyl]quinoline-8-carboxamide
CID 51300002

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide?
The IUPAC name of N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide (CID 18132726) is N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide.
What is the SMILES notation for N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide?
The canonical SMILES for N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide is CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide?
The InChIKey is LNFCZCMXBGRJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-25(23,24)16-5-3-2-4-15(16)18(22)20-13-8-6-12(7-9-13)17(21)19-14-10-11-14/h2-9,14H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide?
N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide has a molecular weight of 358.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide is sourced from PubChem (CID 18132726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).