(2-chlorophenyl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate

C23H19ClN2O3S — CID 23738438

IUPAC(2-chlorophenyl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
SMILESO=C(NC(Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1Cl)c1cccs1
InChIInChI=1S/C23H19ClN2O3S/c24-18-8-3-1-6-15(18)14-29-23(28)20(26-22(27)21-10-5-11-30-21)12-16-13-25-19-9-4-2-7-17(16)19/h1-11,13,20,25H,12,14H2,(H,26,27)
InChIKeyOCQZVMYNHQPIDN-UHFFFAOYSA-N
MW438.94 g/mol
LogP4.97
Rot. Bonds7

About (2-chlorophenyl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate

(2-chlorophenyl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate (PubChem CID 23738438) has the molecular formula C23H19ClN2O3S and a molecular weight of 438.94 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
PubChem CID23738438
Molecular FormulaC23H19ClN2O3S
Molecular Weight438.94 g/mol
Exact Mass438.08
IUPAC Name(2-chlorophenyl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
SMILESO=C(NC(Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1Cl)c1cccs1
InChIInChI=1S/C23H19ClN2O3S/c24-18-8-3-1-6-15(18)14-29-23(28)20(26-22(27)21-10-5-11-30-21)12-16-13-25-19-9-4-2-7-17(16)19/h1-11,13,20,25H,12,14H2,(H,26,27)
InChIKeyOCQZVMYNHQPIDN-UHFFFAOYSA-N
XLogP4.97
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2-chlorophenyl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)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

(2-chlorophenyl)methyl 2-benzamido-3-(1H-indol-3-yl)propanoate
CID 19003113
methyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 6923544
(4-cyanophenyl)methyl (2S)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 2412048
[2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 42552078
N-[1-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 4557310
N-[(2S)-1-[2-[(3,4-dichlorophenyl)carbamoyl]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 2317424
(2-anilino-1,3-thiazol-4-yl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 23823491
N-[3-(1H-indol-3-yl)-1-[[4-(methoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46424980
N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 10338092
N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46415886
N-[(2S)-1-[2-(4-ethoxybenzoyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55937049
N-[(2S)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 2465140

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate?
The IUPAC name of (2-chlorophenyl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate (CID 23738438) is (2-chlorophenyl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate.
What is the SMILES notation for (2-chlorophenyl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate?
The canonical SMILES for (2-chlorophenyl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate is O=C(NC(Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1Cl)c1cccs1.
What is the InChIKey of (2-chlorophenyl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate?
The InChIKey is OCQZVMYNHQPIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3S/c24-18-8-3-1-6-15(18)14-29-23(28)20(26-22(27)21-10-5-11-30-21)12-16-13-25-19-9-4-2-7-17(16)19/h1-11,13,20,25H,12,14H2,(H,26,27).
What are the key properties of (2-chlorophenyl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate?
(2-chlorophenyl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate has a molecular weight of 438.94 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate is sourced from PubChem (CID 23738438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).