3-(2-aminophenyl)-N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide

C19H25N3O3S — CID 120611436

IUPAC3-(2-aminophenyl)-N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCN(C)C(=O)CCc2ccccc2N)cc1
InChIInChI=1S/C19H25N3O3S/c1-15-7-10-17(11-8-15)26(24,25)21-13-14-22(2)19(23)12-9-16-5-3-4-6-18(16)20/h3-8,10-11,21H,9,12-14,20H2,1-2H3
InChIKeyRJSHBWJWOPKVSX-UHFFFAOYSA-N
MW375.49 g/mol
LogP1.95
Rot. Bonds8

About 3-(2-aminophenyl)-N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide

3-(2-aminophenyl)-N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide (PubChem CID 120611436) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
PubChem CID120611436
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name3-(2-aminophenyl)-N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCN(C)C(=O)CCc2ccccc2N)cc1
InChIInChI=1S/C19H25N3O3S/c1-15-7-10-17(11-8-15)26(24,25)21-13-14-22(2)19(23)12-9-16-5-3-4-6-18(16)20/h3-8,10-11,21H,9,12-14,20H2,1-2H3
InChIKeyRJSHBWJWOPKVSX-UHFFFAOYSA-N
XLogP1.95
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-Benzyl-N-butyl-4-(N-phenylsulfamoyl)benzamide
CID 137796294
N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}-3-phenylpropanamide
CID 2812928
N-butyl-4-[(phenylsulfonyl)amino]benzamide
CID 2224401
N-Benzyl-2-(toluene-4-sulfonylamino)-benzamide
CID 3545567
2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164621917
4-methyl-N-[2-(1-piperidinylcarbonyl)phenyl]benzenesulfonamide
CID 1049835
N-(2-Ethyl-phenyl)-4-(pyrrolidine-1-sulfonyl)-benzamide
CID 1428538
(2S)-N-(2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1548195
(2S)-N-(4-fluoro-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2474404
N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}cyclohexanecarboxamide
CID 2812913
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4852464
4-{4-[(4-Phenylpiperazin-1-yl)sulfonyl]phenyl}pyrrolidin-2-one
CID 2974169

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide (CID 120611436) is 3-(2-aminophenyl)-N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide is Cc1ccc(S(=O)(=O)NCCN(C)C(=O)CCc2ccccc2N)cc1.
What is the InChIKey of 3-(2-aminophenyl)-N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide?
The InChIKey is RJSHBWJWOPKVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-15-7-10-17(11-8-15)26(24,25)21-13-14-22(2)19(23)12-9-16-5-3-4-6-18(16)20/h3-8,10-11,21H,9,12-14,20H2,1-2H3.
What are the key properties of 3-(2-aminophenyl)-N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide?
3-(2-aminophenyl)-N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide has a molecular weight of 375.49 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide is sourced from PubChem (CID 120611436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).