[(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]-[2-(methylamino)-2-oxoethyl]azanium

C17H29N4O4S+ — CID 8772027

IUPAC[(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]-[2-(methylamino)-2-oxoethyl]azanium
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)[NH2+]CC(=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)/p+1/t13-/m0/s1
InChIKeyUVAUZNRXGRVYLB-ZDUSSCGKSA-O
MW385.51 g/mol
LogP-0.34
Rot. Bonds9

About [(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]-[2-(methylamino)-2-oxoethyl]azanium

[(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]-[2-(methylamino)-2-oxoethyl]azanium (PubChem CID 8772027) has the molecular formula C17H29N4O4S+ and a molecular weight of 385.51 g/mol. Its IUPAC name is [(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]-[2-(methylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]-[2-(methylamino)-2-oxoethyl]azanium
PubChem CID8772027
Molecular FormulaC17H29N4O4S+
Molecular Weight385.51 g/mol
Exact Mass385.19
IUPAC Name[(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]-[2-(methylamino)-2-oxoethyl]azanium
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)[NH2+]CC(=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)/p+1/t13-/m0/s1
InChIKeyUVAUZNRXGRVYLB-ZDUSSCGKSA-O
XLogP-0.34
TPSA112.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]-[2-(methylamino)-2-oxoethyl]azanium with MolForge

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Related Compounds

(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 8772028
2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide
CID 8771644
(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-1-ium-1-ylpropanamide
CID 8901543
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8917798
(2R)-N-(3-cyanophenyl)-2-[3-(diethylsulfamoyl)-4-methylanilino]propanamide
CID 25408581
2-(4-chlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 7689008
ethyl 2-[1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]sulfanylacetate
CID 42971989
(2R)-2-(4-cyanophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide
CID 7892595
(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide
CID 41293196
1-tert-butyl-3-[3-(diethylsulfamoyl)-4-methylphenyl]urea
CID 8002731
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898378
N-[4-[3-(diethylsulfamoyl)-4-methylanilino]-4-oxobutan-2-yl]benzamide
CID 46817764

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]-[2-(methylamino)-2-oxoethyl]azanium?
The IUPAC name of [(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]-[2-(methylamino)-2-oxoethyl]azanium (CID 8772027) is [(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]-[2-(methylamino)-2-oxoethyl]azanium.
What is the SMILES notation for [(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]-[2-(methylamino)-2-oxoethyl]azanium?
The canonical SMILES for [(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]-[2-(methylamino)-2-oxoethyl]azanium is CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)[NH2+]CC(=O)NC)ccc1C.
What is the InChIKey of [(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]-[2-(methylamino)-2-oxoethyl]azanium?
The InChIKey is UVAUZNRXGRVYLB-ZDUSSCGKSA-O. 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)/p+1/t13-/m0/s1.
What are the key properties of [(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]-[2-(methylamino)-2-oxoethyl]azanium?
[(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]-[2-(methylamino)-2-oxoethyl]azanium has a molecular weight of 385.51 g/mol, XLogP of -0.34, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]-[2-(methylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 8772027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).