(2-phenyl-1H-pyrrol-3-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate

C20H20N2O4S — CID 70493297

IUPAC(2-phenyl-1H-pyrrol-3-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Oc2cc[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C20H20N2O4S/c1-14-8-10-17(11-9-14)27(24,25)22-15(2)20(23)26-18-12-13-21-19(18)16-6-4-3-5-7-16/h3-13,15,21-22H,1-2H3/t15-/m0/s1
InChIKeyYTYYSNGKZZLUCY-HNNXBMFYSA-N
MW384.46 g/mol
LogP3.26
Rot. Bonds6

About (2-phenyl-1H-pyrrol-3-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate

(2-phenyl-1H-pyrrol-3-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate (PubChem CID 70493297) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is (2-phenyl-1H-pyrrol-3-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(2-phenyl-1H-pyrrol-3-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
PubChem CID70493297
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name(2-phenyl-1H-pyrrol-3-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Oc2cc[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C20H20N2O4S/c1-14-8-10-17(11-9-14)27(24,25)22-15(2)20(23)26-18-12-13-21-19(18)16-6-4-3-5-7-16/h3-13,15,21-22H,1-2H3/t15-/m0/s1
InChIKeyYTYYSNGKZZLUCY-HNNXBMFYSA-N
XLogP3.26
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2-phenyl-1H-pyrrol-3-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate 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

1H-indol-3-yl 2-[(4-methylphenyl)sulfonylamino]propanoate
CID 4227873
methyl (2S)-2-[(4-phenylphenyl)sulfonylamino]propanoate
CID 87040440
(2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid;hydrate
CID 131749441
methyl (2S)-2-(benzenesulfonamido)propanoate
CID 10857687
2-[(4-methylphenyl)sulfonylamino]-N-phenylpropanamide
CID 5205930
2-[(4-methylphenyl)sulfonylamino]propanoic acid;5-phenyl-1H-pyrrol-3-ol
CID 166746635
benzyl (2R)-2-[[4-(4-methylanilino)phenyl]sulfonylamino]propanoate
CID 70157814
(2R)-2-(benzenesulfonamido)propanamide
CID 970705
(2R)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 6933874
1H-indol-3-yl (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate
CID 118705392
[2-(2-phenylethenyl)-1,3-thiazol-4-yl] 2-[(4-methylphenyl)sulfonylamino]propanoate
CID 73456067
2-[4-[[(2S)-1-(1H-indol-3-yloxy)-1-oxopropan-2-yl]sulfamoyl]phenoxy]acetic acid
CID 22816728

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1H-pyrrol-3-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate?
The IUPAC name of (2-phenyl-1H-pyrrol-3-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate (CID 70493297) is (2-phenyl-1H-pyrrol-3-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for (2-phenyl-1H-pyrrol-3-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate?
The canonical SMILES for (2-phenyl-1H-pyrrol-3-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate is Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Oc2cc[nH]c2-c2ccccc2)cc1.
What is the InChIKey of (2-phenyl-1H-pyrrol-3-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate?
The InChIKey is YTYYSNGKZZLUCY-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-14-8-10-17(11-9-14)27(24,25)22-15(2)20(23)26-18-12-13-21-19(18)16-6-4-3-5-7-16/h3-13,15,21-22H,1-2H3/t15-/m0/s1.
What are the key properties of (2-phenyl-1H-pyrrol-3-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate?
(2-phenyl-1H-pyrrol-3-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate has a molecular weight of 384.46 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1H-pyrrol-3-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 70493297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).