1H-indol-3-yl (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate

C24H22N2O4S — CID 118705392

IUPAC1H-indol-3-yl (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate
SMILESCc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Oc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H22N2O4S/c1-17-11-13-19(14-12-17)31(28,29)26-22(15-18-7-3-2-4-8-18)24(27)30-23-16-25-21-10-6-5-9-20(21)23/h2-14,16,22,25-26H,15H2,1H3/t22-/m0/s1
InChIKeyMEVCGMIJHJJNAZ-QFIPXVFZSA-N
MW434.52 g/mol
LogP3.97
Rot. Bonds7

About 1H-indol-3-yl (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate

1H-indol-3-yl (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate (PubChem CID 118705392) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is 1H-indol-3-yl (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate.

Molecular Properties

Compound Name1H-indol-3-yl (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate
PubChem CID118705392
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Name1H-indol-3-yl (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate
SMILESCc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Oc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H22N2O4S/c1-17-11-13-19(14-12-17)31(28,29)26-22(15-18-7-3-2-4-8-18)24(27)30-23-16-25-21-10-6-5-9-20(21)23/h2-14,16,22,25-26H,15H2,1H3/t22-/m0/s1
InChIKeyMEVCGMIJHJJNAZ-QFIPXVFZSA-N
XLogP3.97
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1H-indol-3-yl (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate 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
benzyl (2S)-3-(1H-indol-3-yl)-2-[[4-[(4-methylbenzoyl)amino]phenyl]sulfonylamino]propanoate
CID 57168458
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3690831
(2,5-dioxopyrrolidin-1-yl) (2S)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 1218122
1H-indol-3-yl (2S)-2-[[4-(2-hydroxyethyl)phenyl]sulfonylamino]propanoate
CID 22816717
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl fluoride
CID 175585401
2-[4-[[(2S)-1-(1H-indol-3-yloxy)-1-oxopropan-2-yl]sulfamoyl]phenoxy]acetic acid
CID 22816728
3-methylbut-2-enyl 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate
CID 10715259
(6-oxobenzo[c]chromen-3-yl) 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 3825894
(2S)-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanoic acid
CID 2211096
N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-4-methylbenzenesulfonamide
CID 172561352
(4-ethyl-2-oxochromen-7-yl) 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 3664086

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate?
The IUPAC name of 1H-indol-3-yl (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate (CID 118705392) is 1H-indol-3-yl (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate.
What is the SMILES notation for 1H-indol-3-yl (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate?
The canonical SMILES for 1H-indol-3-yl (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate is Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Oc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 1H-indol-3-yl (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate?
The InChIKey is MEVCGMIJHJJNAZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-17-11-13-19(14-12-17)31(28,29)26-22(15-18-7-3-2-4-8-18)24(27)30-23-16-25-21-10-6-5-9-20(21)23/h2-14,16,22,25-26H,15H2,1H3/t22-/m0/s1.
What are the key properties of 1H-indol-3-yl (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate?
1H-indol-3-yl (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate has a molecular weight of 434.52 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate is sourced from PubChem (CID 118705392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).