(2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylpentanamide

C21H25N3O3S — CID 9450352

IUPAC(2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylpentanamide
SMILESCCC[C@H](C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1ccccc1
InChIInChI=1S/C21H25N3O3S/c1-2-8-19(16-9-4-3-5-10-16)21(25)23-17-11-6-12-18(15-17)28(26,27)24-20-13-7-14-22-20/h3-6,9-12,15,19H,2,7-8,13-14H2,1H3,(H,22,24)(H,23,25)/t19-/m0/s1
InChIKeyOKYBKYYXQLERRF-IBGZPJMESA-N
MW399.52 g/mol
LogP3.68
Rot. Bonds7

About (2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylpentanamide

(2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylpentanamide (PubChem CID 9450352) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is (2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylpentanamide.

Molecular Properties

Compound Name(2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylpentanamide
PubChem CID9450352
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name(2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylpentanamide
SMILESCCC[C@H](C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1ccccc1
InChIInChI=1S/C21H25N3O3S/c1-2-8-19(16-9-4-3-5-10-16)21(25)23-17-11-6-12-18(15-17)28(26,27)24-20-13-7-14-22-20/h3-6,9-12,15,19H,2,7-8,13-14H2,1H3,(H,22,24)(H,23,25)/t19-/m0/s1
InChIKeyOKYBKYYXQLERRF-IBGZPJMESA-N
XLogP3.68
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylacetamide
CID 56538343
(2R)-N-(3-methylsulfonylphenyl)-2-phenylpentanamide
CID 9071410
(2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylpentanamide
CID 9108359
N-[3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 55333329
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide
CID 7758976
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methylbut-2-enamide
CID 30877296
2-(3-chlorophenoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]propanamide
CID 42905606
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(methylamino)butanamide
CID 119676774
N-(3-acetylphenyl)-2-phenylpentanamide
CID 43009729
(2R)-2-acetamido-3-methyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]butanamide
CID 9477293
(2S)-2-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 9219484
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(methanesulfonamido)benzamide
CID 55350690

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylpentanamide?
The IUPAC name of (2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylpentanamide (CID 9450352) is (2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylpentanamide.
What is the SMILES notation for (2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylpentanamide?
The canonical SMILES for (2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylpentanamide is CCC[C@H](C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1ccccc1.
What is the InChIKey of (2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylpentanamide?
The InChIKey is OKYBKYYXQLERRF-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-2-8-19(16-9-4-3-5-10-16)21(25)23-17-11-6-12-18(15-17)28(26,27)24-20-13-7-14-22-20/h3-6,9-12,15,19H,2,7-8,13-14H2,1H3,(H,22,24)(H,23,25)/t19-/m0/s1.
What are the key properties of (2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylpentanamide?
(2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylpentanamide has a molecular weight of 399.52 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylpentanamide is sourced from PubChem (CID 9450352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).