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

C16H17N3O4S — CID 777181

IUPACN-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)NNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H17N3O4S/c1-11-3-9-15(10-4-11)24(22,23)19-18-16(21)13-5-7-14(8-6-13)17-12(2)20/h3-10,19H,1-2H3,(H,17,20)(H,18,21)
InChIKeyWHAOHWBKZXUXPF-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.58
Rot. Bonds5

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

N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]acetamide (PubChem CID 777181) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]acetamide
PubChem CID777181
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)NNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H17N3O4S/c1-11-3-9-15(10-4-11)24(22,23)19-18-16(21)13-5-7-14(8-6-13)17-12(2)20/h3-10,19H,1-2H3,(H,17,20)(H,18,21)
InChIKeyWHAOHWBKZXUXPF-UHFFFAOYSA-N
XLogP1.58
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.58
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-(4-Sulfamoyl-phenyl)-benzamide
CID 721954
N,4-dimethyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 1041096
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
N-{4-[N'-(3-Methyl-benzoyl)-hydrazinocarbonyl]-phenyl}-acetamide
CID 815559
2,2-dimethyl-N-{4-[N-(phenylcarbonylamino)carbamoyl]phenyl}propanamide
CID 815570
N-[4-({2-[(4-methylphenyl)sulfonyl]hydrazino}carbonyl)phenyl]cyclopropanecarboxamide
CID 1013377
2,2-Dimethyl-N-{4-[N'-(3-methyl-benzoyl)-hydrazinocarbonyl]-phenyl}-propionamide
CID 1100700
4-(Benzenesulfonyl-methyl-amino)-N-cyclopentyl-benzamide
CID 1106330
N-(2-Ethyl-phenyl)-4-(pyrrolidine-1-sulfonyl)-benzamide
CID 1428538
N-(3-acetamidophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 2482626

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]acetamide (CID 777181) is N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)NNS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]acetamide?
The InChIKey is WHAOHWBKZXUXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-11-3-9-15(10-4-11)24(22,23)19-18-16(21)13-5-7-14(8-6-13)17-12(2)20/h3-10,19H,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]acetamide?
N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]acetamide has a molecular weight of 347.40 g/mol, XLogP of 1.58, 5 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]acetamide is sourced from PubChem (CID 777181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).