5-chloro-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide

C17H15ClN2OS — CID 46921194

IUPAC5-chloro-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide
SMILESCSc1ccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
InChIInChI=1S/C17H15ClN2OS/c1-22-14-5-2-11(3-6-14)10-19-17(21)16-9-12-8-13(18)4-7-15(12)20-16/h2-9,20H,10H2,1H3,(H,19,21)
InChIKeyMDFXDLAKMPIAIZ-UHFFFAOYSA-N
MW330.84 g/mol
LogP4.47
Rot. Bonds4

About 5-chloro-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide

5-chloro-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 46921194) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is 5-chloro-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide
PubChem CID46921194
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC Name5-chloro-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide
SMILESCSc1ccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
InChIInChI=1S/C17H15ClN2OS/c1-22-14-5-2-11(3-6-14)10-19-17(21)16-9-12-8-13(18)4-7-15(12)20-16/h2-9,20H,10H2,1H3,(H,19,21)
InChIKeyMDFXDLAKMPIAIZ-UHFFFAOYSA-N
XLogP4.47
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide (CID 46921194) is 5-chloro-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide is CSc1ccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1.
What is the InChIKey of 5-chloro-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is MDFXDLAKMPIAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS/c1-22-14-5-2-11(3-6-14)10-19-17(21)16-9-12-8-13(18)4-7-15(12)20-16/h2-9,20H,10H2,1H3,(H,19,21).
What are the key properties of 5-chloro-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide?
5-chloro-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 330.84 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 46921194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).