4-(cyclopropanecarbonylamino)-N-(4-methyl-3-sulfamoylphenyl)benzamide

C18H19N3O4S — CID 46809533

IUPAC4-(cyclopropanecarbonylamino)-N-(4-methyl-3-sulfamoylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C18H19N3O4S/c1-11-2-7-15(10-16(11)26(19,24)25)21-18(23)13-5-8-14(9-6-13)20-17(22)12-3-4-12/h2,5-10,12H,3-4H2,1H3,(H,20,22)(H,21,23)(H2,19,24,25)
InChIKeyBJCKCQTXTHBQDR-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.24
Rot. Bonds5

About 4-(cyclopropanecarbonylamino)-N-(4-methyl-3-sulfamoylphenyl)benzamide

4-(cyclopropanecarbonylamino)-N-(4-methyl-3-sulfamoylphenyl)benzamide (PubChem CID 46809533) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-(4-methyl-3-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-(4-methyl-3-sulfamoylphenyl)benzamide
PubChem CID46809533
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name4-(cyclopropanecarbonylamino)-N-(4-methyl-3-sulfamoylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C18H19N3O4S/c1-11-2-7-15(10-16(11)26(19,24)25)21-18(23)13-5-8-14(9-6-13)20-17(22)12-3-4-12/h2,5-10,12H,3-4H2,1H3,(H,20,22)(H,21,23)(H2,19,24,25)
InChIKeyBJCKCQTXTHBQDR-UHFFFAOYSA-N
XLogP2.24
TPSA118.36 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 ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 39764000
4-N-(4-methyl-3-sulfamoylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 55363749
N-(4-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78983436
N-(4-fluorophenyl)-4-methyl-3-sulfamoylbenzamide
CID 9070427
N-(4-methyl-3-sulfamoylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 47048097
N-[4-[[(3-bromo-4-methylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4509550
N-(4-methyl-3-sulfamoylphenyl)oxane-2-carboxamide
CID 62213044
2-amino-N-(4-methyl-3-sulfamoylphenyl)cyclohexane-1-carboxamide
CID 64823639
4-(cyclopropanecarbonylamino)-N-[3-(dimethylsulfamoyl)phenyl]benzamide
CID 26289281
4-[(4-ethyl-3-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673196
N-(4-bromophenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 26913884
4-amino-N-(3-bromo-4-methylphenyl)cyclohexane-1-carboxamide
CID 55201939

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-(4-methyl-3-sulfamoylphenyl)benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-(4-methyl-3-sulfamoylphenyl)benzamide (CID 46809533) is 4-(cyclopropanecarbonylamino)-N-(4-methyl-3-sulfamoylphenyl)benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-(4-methyl-3-sulfamoylphenyl)benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-(4-methyl-3-sulfamoylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1S(N)(=O)=O.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-(4-methyl-3-sulfamoylphenyl)benzamide?
The InChIKey is BJCKCQTXTHBQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-11-2-7-15(10-16(11)26(19,24)25)21-18(23)13-5-8-14(9-6-13)20-17(22)12-3-4-12/h2,5-10,12H,3-4H2,1H3,(H,20,22)(H,21,23)(H2,19,24,25).
What are the key properties of 4-(cyclopropanecarbonylamino)-N-(4-methyl-3-sulfamoylphenyl)benzamide?
4-(cyclopropanecarbonylamino)-N-(4-methyl-3-sulfamoylphenyl)benzamide has a molecular weight of 373.43 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-(4-methyl-3-sulfamoylphenyl)benzamide is sourced from PubChem (CID 46809533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).