(3S)-3-methyl-5-phenyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]pentanamide

C20H26N2O3S — CID 52517225

IUPAC(3S)-3-methyl-5-phenyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]pentanamide
SMILESC[C@@H](CCc1ccccc1)CC(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C20H26N2O3S/c1-15(11-12-17-7-4-3-5-8-17)13-20(23)22-16(2)18-9-6-10-19(14-18)26(21,24)25/h3-10,14-16H,11-13H2,1-2H3,(H,22,23)(H2,21,24,25)/t15-,16-/m0/s1
InChIKeyQMFITSVFXLKMLH-HOTGVXAUSA-N
MW374.51 g/mol
LogP3.17
Rot. Bonds8

About (3S)-3-methyl-5-phenyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]pentanamide

(3S)-3-methyl-5-phenyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]pentanamide (PubChem CID 52517225) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is (3S)-3-methyl-5-phenyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name(3S)-3-methyl-5-phenyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]pentanamide
PubChem CID52517225
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name(3S)-3-methyl-5-phenyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]pentanamide
SMILESC[C@@H](CCc1ccccc1)CC(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C20H26N2O3S/c1-15(11-12-17-7-4-3-5-8-17)13-20(23)22-16(2)18-9-6-10-19(14-18)26(21,24)25/h3-10,14-16H,11-13H2,1-2H3,(H,22,23)(H2,21,24,25)/t15-,16-/m0/s1
InChIKeyQMFITSVFXLKMLH-HOTGVXAUSA-N
XLogP3.17
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide
CID 114876353
1-[(2S)-4-(4-bromophenyl)butan-2-yl]-3-[(1R)-1-(3-sulfamoylphenyl)ethyl]urea
CID 52510601
3,3-diphenyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 4793818
2-propoxy-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51102309
3-(furan-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide
CID 51213557
4-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 70328531
3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide
CID 81351259
3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119951139
2-(4-methylphenyl)sulfanyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51213545
2-(9-oxoacridin-10-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 134051234
2-(3-methoxy-4-methylphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 17483575
2-(1H-indol-3-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 78813976

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-5-phenyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]pentanamide?
The IUPAC name of (3S)-3-methyl-5-phenyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]pentanamide (CID 52517225) is (3S)-3-methyl-5-phenyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]pentanamide.
What is the SMILES notation for (3S)-3-methyl-5-phenyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]pentanamide?
The canonical SMILES for (3S)-3-methyl-5-phenyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]pentanamide is C[C@@H](CCc1ccccc1)CC(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of (3S)-3-methyl-5-phenyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]pentanamide?
The InChIKey is QMFITSVFXLKMLH-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15(11-12-17-7-4-3-5-8-17)13-20(23)22-16(2)18-9-6-10-19(14-18)26(21,24)25/h3-10,14-16H,11-13H2,1-2H3,(H,22,23)(H2,21,24,25)/t15-,16-/m0/s1.
What are the key properties of (3S)-3-methyl-5-phenyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]pentanamide?
(3S)-3-methyl-5-phenyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]pentanamide has a molecular weight of 374.51 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-5-phenyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]pentanamide is sourced from PubChem (CID 52517225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).