(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(4-sulfamoylphenyl)propanamide

C18H23N3O4S — CID 8514636

IUPAC(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(4-sulfamoylphenyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)CCOc1ccccc1
InChIInChI=1S/C18H23N3O4S/c1-14(21(2)12-13-25-16-6-4-3-5-7-16)18(22)20-15-8-10-17(11-9-15)26(19,23)24/h3-11,14H,12-13H2,1-2H3,(H,20,22)(H2,19,23,24)/t14-/m0/s1
InChIKeyCGGYWBPAKPKDSN-AWEZNQCLSA-N
MW377.47 g/mol
LogP1.67
Rot. Bonds8

About (2S)-2-[methyl(2-phenoxyethyl)amino]-N-(4-sulfamoylphenyl)propanamide

(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(4-sulfamoylphenyl)propanamide (PubChem CID 8514636) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is (2S)-2-[methyl(2-phenoxyethyl)amino]-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(4-sulfamoylphenyl)propanamide
PubChem CID8514636
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(4-sulfamoylphenyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)CCOc1ccccc1
InChIInChI=1S/C18H23N3O4S/c1-14(21(2)12-13-25-16-6-4-3-5-7-16)18(22)20-15-8-10-17(11-9-15)26(19,23)24/h3-11,14H,12-13H2,1-2H3,(H,20,22)(H2,19,23,24)/t14-/m0/s1
InChIKeyCGGYWBPAKPKDSN-AWEZNQCLSA-N
XLogP1.67
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[methyl(2-phenoxyethyl)amino]-N-(4-sulfamoylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 26430195
N-(4-cyanophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 17437572
N-(3,4-difluorophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 24506649
2-[(2-bromophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 55351564
2-[methyl(2-phenoxyethyl)amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8754897
2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 4845097
(2S)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 8517596
(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-phenylphenyl)propanamide
CID 8514606
N-tert-butyl-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 51242961
(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-nitrophenyl)propanamide
CID 8514684
N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 18083553
N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 46808821

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl(2-phenoxyethyl)amino]-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of (2S)-2-[methyl(2-phenoxyethyl)amino]-N-(4-sulfamoylphenyl)propanamide (CID 8514636) is (2S)-2-[methyl(2-phenoxyethyl)amino]-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[methyl(2-phenoxyethyl)amino]-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for (2S)-2-[methyl(2-phenoxyethyl)amino]-N-(4-sulfamoylphenyl)propanamide is C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)CCOc1ccccc1.
What is the InChIKey of (2S)-2-[methyl(2-phenoxyethyl)amino]-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is CGGYWBPAKPKDSN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-14(21(2)12-13-25-16-6-4-3-5-7-16)18(22)20-15-8-10-17(11-9-15)26(19,23)24/h3-11,14H,12-13H2,1-2H3,(H,20,22)(H2,19,23,24)/t14-/m0/s1.
What are the key properties of (2S)-2-[methyl(2-phenoxyethyl)amino]-N-(4-sulfamoylphenyl)propanamide?
(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 377.47 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl(2-phenoxyethyl)amino]-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 8514636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).