N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]cyclopropanecarboxamide

C18H19N3O4S — CID 1013377

IUPACN-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C18H19N3O4S/c1-12-2-10-16(11-3-12)26(24,25)21-20-18(23)14-6-8-15(9-7-14)19-17(22)13-4-5-13/h2-3,6-11,13,21H,4-5H2,1H3,(H,19,22)(H,20,23)
InChIKeyDYOHHVJSVDPSGP-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.97
Rot. Bonds6

About N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]cyclopropanecarboxamide

N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]cyclopropanecarboxamide (PubChem CID 1013377) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]cyclopropanecarboxamide
PubChem CID1013377
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C18H19N3O4S/c1-12-2-10-16(11-3-12)26(24,25)21-20-18(23)14-6-8-15(9-7-14)19-17(22)13-4-5-13/h2-3,6-11,13,21H,4-5H2,1H3,(H,19,22)(H,20,23)
InChIKeyDYOHHVJSVDPSGP-UHFFFAOYSA-N
XLogP1.97
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-[(phenylsulfonyl)amino]benzamide
CID 2224401
N-{[(4-phenylphenyl)carbamoyl]amino}-4-sulfamoylbenzamide
CID 11407223
N-{[(4-acetylphenyl)carbamoyl]amino}-4-sulfamoylbenzamide
CID 11463026
2,2-dimethyl-N-{4-[N-(phenylcarbonylamino)carbamoyl]phenyl}propanamide
CID 815570
4-(Benzenesulfonyl-methyl-amino)-N-cyclopentyl-benzamide
CID 1106330
N-cyclopropyl-4-[(phenylsulfonyl)amino]benzamide
CID 2983266
4-Amino-N-(4-sulfamoylphenyl)benzamide
CID 24692821
N-phenyl-4-(phenylsulfonamido)benzamide
CID 1362627
4-Dimethylsulfamoyl-N-(4-pyrrolidin-1-ylmethyl-phenyl)-benzamide
CID 652521
N-(4-{[2-(2-methylbenzoyl)hydrazino]sulfonyl}phenyl)acetamide
CID 730403
N-[4-({2-[(4-methylphenyl)sulfonyl]hydrazino}carbonyl)phenyl]acetamide
CID 777181
N-[4-(diethylsulfamoyl)phenyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 1007873

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]cyclopropanecarboxamide (CID 1013377) is N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]cyclopropanecarboxamide is Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1.
What is the InChIKey of N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]cyclopropanecarboxamide?
The InChIKey is DYOHHVJSVDPSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-12-2-10-16(11-3-12)26(24,25)21-20-18(23)14-6-8-15(9-7-14)19-17(22)13-4-5-13/h2-3,6-11,13,21H,4-5H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]cyclopropanecarboxamide?
N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]cyclopropanecarboxamide has a molecular weight of 373.43 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 1013377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).