(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide

C17H28N4O4S — CID 8772028

IUPAC(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)NCC(=O)NC)ccc1C
InChIInChI=1S/C17H28N4O4S/c1-6-21(7-2)26(24,25)15-10-14(9-8-12(15)3)20-17(23)13(4)19-11-16(22)18-5/h8-10,13,19H,6-7,11H2,1-5H3,(H,18,22)(H,20,23)/t13-/m0/s1
InChIKeyUVAUZNRXGRVYLB-ZDUSSCGKSA-N
MW384.50 g/mol
LogP0.69
Rot. Bonds9

About (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide

(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide (PubChem CID 8772028) has the molecular formula C17H28N4O4S and a molecular weight of 384.50 g/mol. Its IUPAC name is (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide
PubChem CID8772028
Molecular FormulaC17H28N4O4S
Molecular Weight384.50 g/mol
Exact Mass384.18
IUPAC Name(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)NCC(=O)NC)ccc1C
InChIInChI=1S/C17H28N4O4S/c1-6-21(7-2)26(24,25)15-10-14(9-8-12(15)3)20-17(23)13(4)19-11-16(22)18-5/h8-10,13,19H,6-7,11H2,1-5H3,(H,18,22)(H,20,23)/t13-/m0/s1
InChIKeyUVAUZNRXGRVYLB-ZDUSSCGKSA-N
XLogP0.69
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide
CID 8771644
[(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772027
(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-1-ium-1-ylpropanamide
CID 8901543
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898378
(2R)-N-(3-cyanophenyl)-2-[3-(diethylsulfamoyl)-4-methylanilino]propanamide
CID 25408581
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide
CID 26521292
ethyl 2-[1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]sulfanylacetate
CID 42971989
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 30880575
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide
CID 7929076
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
1-tert-butyl-3-[3-(diethylsulfamoyl)-4-methylphenyl]urea
CID 8002731
N-[4-[3-(diethylsulfamoyl)-4-methylanilino]-4-oxobutan-2-yl]benzamide
CID 46817764

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide?
The IUPAC name of (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide (CID 8772028) is (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)NCC(=O)NC)ccc1C.
What is the InChIKey of (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide?
The InChIKey is UVAUZNRXGRVYLB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H28N4O4S/c1-6-21(7-2)26(24,25)15-10-14(9-8-12(15)3)20-17(23)13(4)19-11-16(22)18-5/h8-10,13,19H,6-7,11H2,1-5H3,(H,18,22)(H,20,23)/t13-/m0/s1.
What are the key properties of (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide?
(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide has a molecular weight of 384.50 g/mol, XLogP of 0.69, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 8772028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).