(3S)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide

C18H21N3O4S — CID 9141020

IUPAC(3S)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide
SMILESCC(=O)N[C@@H](CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C18H21N3O4S/c1-12-8-9-15(10-17(12)26(19,24)25)21-18(23)11-16(20-13(2)22)14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3,(H,20,22)(H,21,23)(H2,19,24,25)/t16-/m0/s1
InChIKeyALJNVTDCNJLCTM-INIZCTEOSA-N
MW375.45 g/mol
LogP1.85
Rot. Bonds6

About (3S)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide

(3S)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide (PubChem CID 9141020) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is (3S)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide
PubChem CID9141020
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name(3S)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide
SMILESCC(=O)N[C@@H](CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C18H21N3O4S/c1-12-8-9-15(10-17(12)26(19,24)25)21-18(23)11-16(20-13(2)22)14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3,(H,20,22)(H,21,23)(H2,19,24,25)/t16-/m0/s1
InChIKeyALJNVTDCNJLCTM-INIZCTEOSA-N
XLogP1.85
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide
CID 9141022
(3R)-3-acetamido-N-(4-methoxy-3-sulfamoylphenyl)-3-phenylpropanamide
CID 7999988
(3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide
CID 8743897
(3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide
CID 2665891
3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 24637720
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
(3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide
CID 8713924
3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 24638755
3-acetamido-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-3-phenylpropanamide
CID 55762719
(3R)-3-acetamido-3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 8752777
[2-(3-chloro-4-methylanilino)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132866
ethyl 3-[(3-acetamido-3-phenylpropanoyl)amino]benzoate
CID 55394890

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide?
The IUPAC name of (3S)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide (CID 9141020) is (3S)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide.
What is the SMILES notation for (3S)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide?
The canonical SMILES for (3S)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide is CC(=O)N[C@@H](CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1)c1ccccc1.
What is the InChIKey of (3S)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide?
The InChIKey is ALJNVTDCNJLCTM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-12-8-9-15(10-17(12)26(19,24)25)21-18(23)11-16(20-13(2)22)14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3,(H,20,22)(H,21,23)(H2,19,24,25)/t16-/m0/s1.
What are the key properties of (3S)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide?
(3S)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide has a molecular weight of 375.45 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 9141020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).