(2S)-2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]propanamide

C14H24N4O3S — CID 119267327

IUPAC(2S)-2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)[C@H](C)N)c1
InChIInChI=1S/C14H24N4O3S/c1-5-18(6-2)22(20,21)11-7-8-12(16-4)13(9-11)17-14(19)10(3)15/h7-10,16H,5-6,15H2,1-4H3,(H,17,19)/t10-/m0/s1
InChIKeyNVEJVJYHHNPBFF-JTQLQIEISA-N
MW328.44 g/mol
LogP1.04
Rot. Bonds7

About (2S)-2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]propanamide

(2S)-2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]propanamide (PubChem CID 119267327) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is (2S)-2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]propanamide
PubChem CID119267327
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Name(2S)-2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)[C@H](C)N)c1
InChIInChI=1S/C14H24N4O3S/c1-5-18(6-2)22(20,21)11-7-8-12(16-4)13(9-11)17-14(19)10(3)15/h7-10,16H,5-6,15H2,1-4H3,(H,17,19)/t10-/m0/s1
InChIKeyNVEJVJYHHNPBFF-JTQLQIEISA-N
XLogP1.04
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]pentanamide;hydrochloride
CID 119267336
2-(4-aminophenyl)-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide
CID 119682102
4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]pentanamide;hydrochloride
CID 120558969
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-methylbutanamide
CID 46511241
N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119682122
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119269825
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-methylpentanamide
CID 78848200
N-[4-(diethylsulfamoyl)-2-methylphenyl]-2-phenylpropanamide
CID 21214992
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide
CID 51933846
N,N-diethyl-4-methoxy-3-(methylamino)benzenesulfonamide
CID 35582178
N-[5-(diethylsulfamoyl)-2-methylsulfanylphenyl]acetamide
CID 100500584

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]propanamide (CID 119267327) is (2S)-2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)[C@H](C)N)c1.
What is the InChIKey of (2S)-2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]propanamide?
The InChIKey is NVEJVJYHHNPBFF-JTQLQIEISA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-5-18(6-2)22(20,21)11-7-8-12(16-4)13(9-11)17-14(19)10(3)15/h7-10,16H,5-6,15H2,1-4H3,(H,17,19)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]propanamide?
(2S)-2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]propanamide has a molecular weight of 328.44 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]propanamide is sourced from PubChem (CID 119267327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).