2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide

C17H21N3O3S — CID 164621917

IUPAC2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESCCc1ccc(NCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H21N3O3S/c1-2-13-3-7-15(8-4-13)19-12-17(21)20-11-14-5-9-16(10-6-14)24(18,22)23/h3-10,19H,2,11-12H2,1H3,(H,20,21)(H2,18,22,23)
InChIKeyMWCROTDHJPPFED-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.62
Rot. Bonds7

About 2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide

2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 164621917) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID164621917
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESCCc1ccc(NCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H21N3O3S/c1-2-13-3-7-15(8-4-13)19-12-17(21)20-11-14-5-9-16(10-6-14)24(18,22)23/h3-10,19H,2,11-12H2,1H3,(H,20,21)(H2,18,22,23)
InChIKeyMWCROTDHJPPFED-UHFFFAOYSA-N
XLogP1.62
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}phenyl)acetamide
CID 1977749
1-Phenyl-3-(2-(4-sulfamoylphenyl)ethyl)urea
CID 4229592
Benzenesulfonamide, 4-[[[(phenylamino)carbonyl]amino]methyl]-
CID 10614528
N-[4-(4-Acetylpiperazin-1-Yl)-2-Fluorobenzyl]-N-Cyclobutylbenzenesulfonamide
CID 86346644
N-(4-{[(3-phenylpropyl)amino]sulfonyl}phenyl)acetamide
CID 2164921
N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}-3-phenylpropanamide
CID 2812928
N-[4-(aminosulfonyl)phenyl]-2-(2,3-dihydro-1H-indol-1-yl)acetamide
CID 2817021
N-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide
CID 16800466
N-(4-(((1-Methylethyl)(phenylmethyl)amino)sulfonyl)phenyl)acetamide
CID 669165
N-[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)phenyl]acetamide
CID 720097
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 999998
N-{4-[(3-methylphenyl)sulfamoyl]phenyl}acetamide
CID 720108

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 164621917) is 2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide is CCc1ccc(NCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is MWCROTDHJPPFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-2-13-3-7-15(8-4-13)19-12-17(21)20-11-14-5-9-16(10-6-14)24(18,22)23/h3-10,19H,2,11-12H2,1H3,(H,20,21)(H2,18,22,23).
What are the key properties of 2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 347.44 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 164621917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).