3-(4-chlorophenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide

C23H19ClN2OS — CID 22513700

IUPAC3-(4-chlorophenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1
InChIInChI=1S/C23H19ClN2OS/c24-17-10-12-18(13-11-17)28-22-19-8-4-5-9-20(19)26-21(22)23(27)25-15-14-16-6-2-1-3-7-16/h1-13,26H,14-15H2,(H,25,27)
InChIKeyIZEQRCZKGFZWRT-UHFFFAOYSA-N
MW406.94 g/mol
LogP5.95
Rot. Bonds6

About 3-(4-chlorophenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide

3-(4-chlorophenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide (PubChem CID 22513700) has the molecular formula C23H19ClN2OS and a molecular weight of 406.94 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide
PubChem CID22513700
Molecular FormulaC23H19ClN2OS
Molecular Weight406.94 g/mol
Exact Mass406.09
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1
InChIInChI=1S/C23H19ClN2OS/c24-17-10-12-18(13-11-17)28-22-19-8-4-5-9-20(19)26-21(22)23(27)25-15-14-16-6-2-1-3-7-16/h1-13,26H,14-15H2,(H,25,27)
InChIKeyIZEQRCZKGFZWRT-UHFFFAOYSA-N
XLogP5.95
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.94
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide
CID 22513661
3-(4-chlorophenyl)sulfanyl-N-propyl-1H-indole-2-carboxamide
CID 6623806
N-phenyl-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 67754049
N-benzyl-6-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513772
3-(4-methylphenyl)sulfanyl-N-(3-propan-2-yloxypropyl)-1H-indole-2-carboxamide
CID 22513671
N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 12758173
2,3-bis[(4-chlorophenyl)sulfanyl]-1H-indole
CID 10453718
3-(4-chlorophenyl)sulfanyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 90645721
N-[2-(4-chlorophenyl)ethyl]-4-fluoronaphthalene-1-carboxamide
CID 673823
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide
CID 4176110
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573453

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide (CID 22513700) is 3-(4-chlorophenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide is O=C(NCCc1ccccc1)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide?
The InChIKey is IZEQRCZKGFZWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2OS/c24-17-10-12-18(13-11-17)28-22-19-8-4-5-9-20(19)26-21(22)23(27)25-15-14-16-6-2-1-3-7-16/h1-13,26H,14-15H2,(H,25,27).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide?
3-(4-chlorophenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide has a molecular weight of 406.94 g/mol, XLogP of 5.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 22513700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).