(2S)-N-[3-(acetylsulfamoyl)phenyl]-2-amino-3-phenylpropanamide

C17H19N3O4S — CID 57200354

IUPAC(2S)-N-[3-(acetylsulfamoyl)phenyl]-2-amino-3-phenylpropanamide
SMILESCC(=O)NS(=O)(=O)c1cccc(NC(=O)[C@@H](N)Cc2ccccc2)c1
InChIInChI=1S/C17H19N3O4S/c1-12(21)20-25(23,24)15-9-5-8-14(11-15)19-17(22)16(18)10-13-6-3-2-4-7-13/h2-9,11,16H,10,18H2,1H3,(H,19,22)(H,20,21)/t16-/m0/s1
InChIKeyHHKOPUHPNMDYED-INIZCTEOSA-N
MW361.42 g/mol
LogP1.02
Rot. Bonds6

About (2S)-N-[3-(acetylsulfamoyl)phenyl]-2-amino-3-phenylpropanamide

(2S)-N-[3-(acetylsulfamoyl)phenyl]-2-amino-3-phenylpropanamide (PubChem CID 57200354) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is (2S)-N-[3-(acetylsulfamoyl)phenyl]-2-amino-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-[3-(acetylsulfamoyl)phenyl]-2-amino-3-phenylpropanamide
PubChem CID57200354
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name(2S)-N-[3-(acetylsulfamoyl)phenyl]-2-amino-3-phenylpropanamide
SMILESCC(=O)NS(=O)(=O)c1cccc(NC(=O)[C@@H](N)Cc2ccccc2)c1
InChIInChI=1S/C17H19N3O4S/c1-12(21)20-25(23,24)15-9-5-8-14(11-15)19-17(22)16(18)10-13-6-3-2-4-7-13/h2-9,11,16H,10,18H2,1H3,(H,19,22)(H,20,21)/t16-/m0/s1
InChIKeyHHKOPUHPNMDYED-INIZCTEOSA-N
XLogP1.02
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-phenyl-N-[3-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]propanamide
CID 57193196
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CID 119270879
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
N-[3-(2-phenylethylcarbamoylamino)phenyl]sulfonylacetamide
CID 70284914
(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
CID 22691206
2-amino-N-(3-iodophenyl)-3-phenylpropanamide
CID 43124635
(2S)-2-amino-N-(3-fluorophenyl)-3-phenylpropanamide
CID 22691298
2-amino-N-(3-ethoxyphenyl)-3-phenylpropanamide
CID 60927036
(2S)-2-amino-N-[3-(1-methoxyethyl)phenyl]-3-phenylpropanamide
CID 119314874
(2R)-3-(3-acetamidophenyl)-2-aminopropanoic acid
CID 135331594
2-amino-N-ethylsulfonyl-3-phenylpropanamide
CID 103307138
(2S)-2-amino-N-[3-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonylphenyl]-3-phenylpropanamide
CID 167299072

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(acetylsulfamoyl)phenyl]-2-amino-3-phenylpropanamide?
The IUPAC name of (2S)-N-[3-(acetylsulfamoyl)phenyl]-2-amino-3-phenylpropanamide (CID 57200354) is (2S)-N-[3-(acetylsulfamoyl)phenyl]-2-amino-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-[3-(acetylsulfamoyl)phenyl]-2-amino-3-phenylpropanamide?
The canonical SMILES for (2S)-N-[3-(acetylsulfamoyl)phenyl]-2-amino-3-phenylpropanamide is CC(=O)NS(=O)(=O)c1cccc(NC(=O)[C@@H](N)Cc2ccccc2)c1.
What is the InChIKey of (2S)-N-[3-(acetylsulfamoyl)phenyl]-2-amino-3-phenylpropanamide?
The InChIKey is HHKOPUHPNMDYED-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-12(21)20-25(23,24)15-9-5-8-14(11-15)19-17(22)16(18)10-13-6-3-2-4-7-13/h2-9,11,16H,10,18H2,1H3,(H,19,22)(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-N-[3-(acetylsulfamoyl)phenyl]-2-amino-3-phenylpropanamide?
(2S)-N-[3-(acetylsulfamoyl)phenyl]-2-amino-3-phenylpropanamide has a molecular weight of 361.42 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(acetylsulfamoyl)phenyl]-2-amino-3-phenylpropanamide is sourced from PubChem (CID 57200354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).