N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methylsulfonylbenzamide

C19H20N2O4S — CID 55711603

IUPACN-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methylsulfonylbenzamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C19H20N2O4S/c1-12-6-9-15(20-18(22)13-7-8-13)11-17(12)21-19(23)14-4-3-5-16(10-14)26(2,24)25/h3-6,9-11,13H,7-8H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyHVQARGAGVBWQNX-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.00
Rot. Bonds5

About N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methylsulfonylbenzamide

N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methylsulfonylbenzamide (PubChem CID 55711603) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methylsulfonylbenzamide
PubChem CID55711603
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methylsulfonylbenzamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C19H20N2O4S/c1-12-6-9-15(20-18(22)13-7-8-13)11-17(12)21-19(23)14-4-3-5-16(10-14)26(2,24)25/h3-6,9-11,13H,7-8H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyHVQARGAGVBWQNX-UHFFFAOYSA-N
XLogP3.00
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropanecarbonylamino)-N-(3-methylsulfonylphenyl)benzamide
CID 33156436
N-[2-chloro-4-(cyclopentanecarbonylamino)phenyl]-3-methylsulfonylbenzamide
CID 24667735
4-(benzenesulfonamido)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzamide
CID 55711862
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CID 55711809
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 46467572
methyl 3-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-4-methylbenzoate
CID 34143285
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 75450140
(3R)-N-[3-methyl-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 30840938
N-[4-(cyclopropanecarbonylamino)phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 25275763
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 46467570
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methylsulfonylbenzamide
CID 55894164
N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 37032402

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methylsulfonylbenzamide?
The IUPAC name of N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methylsulfonylbenzamide (CID 55711603) is N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methylsulfonylbenzamide?
The canonical SMILES for N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methylsulfonylbenzamide is Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methylsulfonylbenzamide?
The InChIKey is HVQARGAGVBWQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-12-6-9-15(20-18(22)13-7-8-13)11-17(12)21-19(23)14-4-3-5-16(10-14)26(2,24)25/h3-6,9-11,13H,7-8H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methylsulfonylbenzamide?
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methylsulfonylbenzamide has a molecular weight of 372.45 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 55711603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).