(2S)-5-oxo-2-[(4-phenylphenyl)sulfonylamino]-5-(propylamino)pentanoic acid

C20H24N2O5S — CID 127044139

IUPAC(2S)-5-oxo-2-[(4-phenylphenyl)sulfonylamino]-5-(propylamino)pentanoic acid
SMILESCCCNC(=O)CC[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C20H24N2O5S/c1-2-14-21-19(23)13-12-18(20(24)25)22-28(26,27)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,18,22H,2,12-14H2,1H3,(H,21,23)(H,24,25)/t18-/m0/s1
InChIKeyNGVKQXNJLILPFW-SFHVURJKSA-N
MW404.49 g/mol
LogP2.39
Rot. Bonds10

About (2S)-5-oxo-2-[(4-phenylphenyl)sulfonylamino]-5-(propylamino)pentanoic acid

(2S)-5-oxo-2-[(4-phenylphenyl)sulfonylamino]-5-(propylamino)pentanoic acid (PubChem CID 127044139) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is (2S)-5-oxo-2-[(4-phenylphenyl)sulfonylamino]-5-(propylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-5-oxo-2-[(4-phenylphenyl)sulfonylamino]-5-(propylamino)pentanoic acid
PubChem CID127044139
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name(2S)-5-oxo-2-[(4-phenylphenyl)sulfonylamino]-5-(propylamino)pentanoic acid
SMILESCCCNC(=O)CC[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C20H24N2O5S/c1-2-14-21-19(23)13-12-18(20(24)25)22-28(26,27)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,18,22H,2,12-14H2,1H3,(H,21,23)(H,24,25)/t18-/m0/s1
InChIKeyNGVKQXNJLILPFW-SFHVURJKSA-N
XLogP2.39
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide
CID 7126519
(2S)-2-(benzenesulfonamido)-5-(methylamino)-5-oxopentanoic acid
CID 131860438
5-[[4-carboxy-4-[[4-(4-chlorophenyl)phenyl]sulfonylamino]butyl]amino]-5-oxo-2-phenylpentanoic acid
CID 18682835
4-amino-2-[(4-phenylphenyl)sulfonylamino]butanoic acid
CID 58279902
(2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(3-phenylpropanoylamino)hexanoic acid
CID 10816934
(2S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid
CID 54264937
4-(1,3-dioxoisoindol-2-yl)-2-[(4-phenylphenyl)sulfonylamino]butanoic acid
CID 18682832
(2R)-3-methyl-2-[[4-(4-phenylphenyl)phenyl]sulfonylamino]butanoic acid
CID 71347191
(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
CID 788533
2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
CID 3745894
(2R)-2-[(4-tert-butylphenyl)sulfonylamino]pentanoic acid
CID 93252469
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide
CID 18104806

Frequently Asked Questions

What is the IUPAC name of (2S)-5-oxo-2-[(4-phenylphenyl)sulfonylamino]-5-(propylamino)pentanoic acid?
The IUPAC name of (2S)-5-oxo-2-[(4-phenylphenyl)sulfonylamino]-5-(propylamino)pentanoic acid (CID 127044139) is (2S)-5-oxo-2-[(4-phenylphenyl)sulfonylamino]-5-(propylamino)pentanoic acid.
What is the SMILES notation for (2S)-5-oxo-2-[(4-phenylphenyl)sulfonylamino]-5-(propylamino)pentanoic acid?
The canonical SMILES for (2S)-5-oxo-2-[(4-phenylphenyl)sulfonylamino]-5-(propylamino)pentanoic acid is CCCNC(=O)CC[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of (2S)-5-oxo-2-[(4-phenylphenyl)sulfonylamino]-5-(propylamino)pentanoic acid?
The InChIKey is NGVKQXNJLILPFW-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-2-14-21-19(23)13-12-18(20(24)25)22-28(26,27)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,18,22H,2,12-14H2,1H3,(H,21,23)(H,24,25)/t18-/m0/s1.
What are the key properties of (2S)-5-oxo-2-[(4-phenylphenyl)sulfonylamino]-5-(propylamino)pentanoic acid?
(2S)-5-oxo-2-[(4-phenylphenyl)sulfonylamino]-5-(propylamino)pentanoic acid has a molecular weight of 404.49 g/mol, XLogP of 2.39, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-oxo-2-[(4-phenylphenyl)sulfonylamino]-5-(propylamino)pentanoic acid is sourced from PubChem (CID 127044139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).