N-phenyl-3-phenylsulfanyl-1H-indole-2-carboxamide

C21H16N2OS — CID 67754049

IUPACN-phenyl-3-phenylsulfanyl-1H-indole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1[nH]c2ccccc2c1Sc1ccccc1
InChIInChI=1S/C21H16N2OS/c24-21(22-15-9-3-1-4-10-15)19-20(25-16-11-5-2-6-12-16)17-13-7-8-14-18(17)23-19/h1-14,23H,(H,22,24)
InChIKeyVWGWTQBQFZZZNR-UHFFFAOYSA-N
MW344.44 g/mol
LogP5.57
Rot. Bonds4

About N-phenyl-3-phenylsulfanyl-1H-indole-2-carboxamide

N-phenyl-3-phenylsulfanyl-1H-indole-2-carboxamide (PubChem CID 67754049) has the molecular formula C21H16N2OS and a molecular weight of 344.44 g/mol. Its IUPAC name is N-phenyl-3-phenylsulfanyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-3-phenylsulfanyl-1H-indole-2-carboxamide
PubChem CID67754049
Molecular FormulaC21H16N2OS
Molecular Weight344.44 g/mol
Exact Mass344.10
IUPAC NameN-phenyl-3-phenylsulfanyl-1H-indole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1[nH]c2ccccc2c1Sc1ccccc1
InChIInChI=1S/C21H16N2OS/c24-21(22-15-9-3-1-4-10-15)19-20(25-16-11-5-2-6-12-16)17-13-7-8-14-18(17)23-19/h1-14,23H,(H,22,24)
InChIKeyVWGWTQBQFZZZNR-UHFFFAOYSA-N
XLogP5.57
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.44
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-phenyl-3-phenylsulfanyl-1H-indole-2-carboxamide 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

3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide
CID 22513661
3-(4-chlorophenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide
CID 22513700
3-(4-chlorophenyl)sulfanyl-N-propyl-1H-indole-2-carboxamide
CID 6623806
N-benzyl-6-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513772
3-bromo-N-(4-bromophenyl)-1H-indole-2-carboxamide
CID 47212938
3-(4-methylphenyl)sulfanyl-N-(3-propan-2-yloxypropyl)-1H-indole-2-carboxamide
CID 22513671
N-(4-acetamidophenyl)-3-bromo-1H-indole-2-carboxamide
CID 47037294
N-benzyl-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513803
6-methoxy-N-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513808
2-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1H-indole-3-carboxamide
CID 24676897
3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide
CID 113204253
N-(4-ethylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204265

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-phenylsulfanyl-1H-indole-2-carboxamide?
The IUPAC name of N-phenyl-3-phenylsulfanyl-1H-indole-2-carboxamide (CID 67754049) is N-phenyl-3-phenylsulfanyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-phenyl-3-phenylsulfanyl-1H-indole-2-carboxamide?
The canonical SMILES for N-phenyl-3-phenylsulfanyl-1H-indole-2-carboxamide is O=C(Nc1ccccc1)c1[nH]c2ccccc2c1Sc1ccccc1.
What is the InChIKey of N-phenyl-3-phenylsulfanyl-1H-indole-2-carboxamide?
The InChIKey is VWGWTQBQFZZZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2OS/c24-21(22-15-9-3-1-4-10-15)19-20(25-16-11-5-2-6-12-16)17-13-7-8-14-18(17)23-19/h1-14,23H,(H,22,24).
What are the key properties of N-phenyl-3-phenylsulfanyl-1H-indole-2-carboxamide?
N-phenyl-3-phenylsulfanyl-1H-indole-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 5.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-phenylsulfanyl-1H-indole-2-carboxamide is sourced from PubChem (CID 67754049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).