(2S)-2-[[(1R)-1-phenylethyl]amino]-N-(3-sulfamoylphenyl)propanamide

C17H21N3O3S — CID 41074647

IUPAC(2S)-2-[[(1R)-1-phenylethyl]amino]-N-(3-sulfamoylphenyl)propanamide
SMILESC[C@H](N[C@H](C)c1ccccc1)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H21N3O3S/c1-12(14-7-4-3-5-8-14)19-13(2)17(21)20-15-9-6-10-16(11-15)24(18,22)23/h3-13,19H,1-2H3,(H,20,21)(H2,18,22,23)/t12-,13+/m1/s1
InChIKeyPOEXRHCLEPZVGE-OLZOCXBDSA-N
MW347.44 g/mol
LogP2.01
Rot. Bonds6

About (2S)-2-[[(1R)-1-phenylethyl]amino]-N-(3-sulfamoylphenyl)propanamide

(2S)-2-[[(1R)-1-phenylethyl]amino]-N-(3-sulfamoylphenyl)propanamide (PubChem CID 41074647) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is (2S)-2-[[(1R)-1-phenylethyl]amino]-N-(3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[(1R)-1-phenylethyl]amino]-N-(3-sulfamoylphenyl)propanamide
PubChem CID41074647
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name(2S)-2-[[(1R)-1-phenylethyl]amino]-N-(3-sulfamoylphenyl)propanamide
SMILESC[C@H](N[C@H](C)c1ccccc1)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H21N3O3S/c1-12(14-7-4-3-5-8-14)19-13(2)17(21)20-15-9-6-10-16(11-15)24(18,22)23/h3-13,19H,1-2H3,(H,20,21)(H2,18,22,23)/t12-,13+/m1/s1
InChIKeyPOEXRHCLEPZVGE-OLZOCXBDSA-N
XLogP2.01
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-acetylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 8898640
3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide
CID 81351259
3-chloro-2-methyl-N-(3-sulfamoylphenyl)propanamide
CID 55110486
[(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 8970855
(2S)-2-(4-phenylpiperazin-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 9250166
(2R)-2-(2,5-dimethylanilino)-N-(3-sulfamoylphenyl)propanamide
CID 41024071
(2R)-2-pyrrolidin-1-ium-1-yl-N-(3-sulfamoylphenyl)propanamide
CID 9274940
(2S)-2-pyrrolidin-1-ium-1-yl-N-(3-sulfamoylphenyl)propanamide
CID 9274937
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-phenylpropanamide
CID 81357170
N-methyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63866912
[(2R)-2-hydroxy-2-phenylethyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 9170013
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1R)-1-phenylethyl]amino]-N-(3-sulfamoylphenyl)propanamide?
The IUPAC name of (2S)-2-[[(1R)-1-phenylethyl]amino]-N-(3-sulfamoylphenyl)propanamide (CID 41074647) is (2S)-2-[[(1R)-1-phenylethyl]amino]-N-(3-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[[(1R)-1-phenylethyl]amino]-N-(3-sulfamoylphenyl)propanamide?
The canonical SMILES for (2S)-2-[[(1R)-1-phenylethyl]amino]-N-(3-sulfamoylphenyl)propanamide is C[C@H](N[C@H](C)c1ccccc1)C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of (2S)-2-[[(1R)-1-phenylethyl]amino]-N-(3-sulfamoylphenyl)propanamide?
The InChIKey is POEXRHCLEPZVGE-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12(14-7-4-3-5-8-14)19-13(2)17(21)20-15-9-6-10-16(11-15)24(18,22)23/h3-13,19H,1-2H3,(H,20,21)(H2,18,22,23)/t12-,13+/m1/s1.
What are the key properties of (2S)-2-[[(1R)-1-phenylethyl]amino]-N-(3-sulfamoylphenyl)propanamide?
(2S)-2-[[(1R)-1-phenylethyl]amino]-N-(3-sulfamoylphenyl)propanamide has a molecular weight of 347.44 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1R)-1-phenylethyl]amino]-N-(3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 41074647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).