2-[3-(4-chlorophenyl)sulfanyl-6-methyl-1H-indol-2-yl]acetamide

C17H15ClN2OS — CID 90480445

IUPAC2-[3-(4-chlorophenyl)sulfanyl-6-methyl-1H-indol-2-yl]acetamide
SMILESCc1ccc2c(Sc3ccc(Cl)cc3)c(CC(N)=O)[nH]c2c1
InChIInChI=1S/C17H15ClN2OS/c1-10-2-7-13-14(8-10)20-15(9-16(19)21)17(13)22-12-5-3-11(18)4-6-12/h2-8,20H,9H2,1H3,(H2,19,21)
InChIKeyRDDSJUFDSFKDAM-UHFFFAOYSA-N
MW330.84 g/mol
LogP4.31
Rot. Bonds4

About 2-[3-(4-chlorophenyl)sulfanyl-6-methyl-1H-indol-2-yl]acetamide

2-[3-(4-chlorophenyl)sulfanyl-6-methyl-1H-indol-2-yl]acetamide (PubChem CID 90480445) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)sulfanyl-6-methyl-1H-indol-2-yl]acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)sulfanyl-6-methyl-1H-indol-2-yl]acetamide
PubChem CID90480445
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC Name2-[3-(4-chlorophenyl)sulfanyl-6-methyl-1H-indol-2-yl]acetamide
SMILESCc1ccc2c(Sc3ccc(Cl)cc3)c(CC(N)=O)[nH]c2c1
InChIInChI=1S/C17H15ClN2OS/c1-10-2-7-13-14(8-10)20-15(9-16(19)21)17(13)22-12-5-3-11(18)4-6-12/h2-8,20H,9H2,1H3,(H2,19,21)
InChIKeyRDDSJUFDSFKDAM-UHFFFAOYSA-N
XLogP4.31
TPSA58.88 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 ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-methyl-3-phenylsulfanyl-1H-indol-2-yl)acetamide
CID 90480442
3-[3-(3,5-dichlorophenyl)sulfanyl-6-methyl-1H-indol-2-yl]propanoic acid
CID 71625875
2-(2,6-dimethyl-1H-indol-3-yl)acetamide
CID 82491600
ethyl 3-(4-chlorophenyl)sulfanyl-5-methyl-1H-indole-2-carboxylate
CID 71625158
(4-benzylpiperidin-1-yl)-[3-(4-chlorophenyl)sulfanyl-6-methyl-1H-indol-2-yl]methanone
CID 22513721
3-(4-chlorophenyl)sulfanyl-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-6-methyl-1H-indole-2-carboxamide
CID 92678873
6-methyl-3-[4-(trifluoromethyl)phenyl]sulfanyl-1H-indole-2-carboxylic acid
CID 71625868
2-(5-chloro-3-propan-2-yl-1H-indol-2-yl)acetamide
CID 162663759
N-benzyl-6-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513772
methyl 5-chloro-3-(4-methylphenyl)sulfanyl-1H-indole-2-carboxylate
CID 10903684
6-methyl-2-phenyl-3-phenylsulfanyl-1H-indole
CID 138969708
3-(4-chlorophenyl)sulfanyl-4-(4-methylphenyl)sulfanylcyclobut-3-ene-1,2-dione
CID 118406601

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)sulfanyl-6-methyl-1H-indol-2-yl]acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)sulfanyl-6-methyl-1H-indol-2-yl]acetamide (CID 90480445) is 2-[3-(4-chlorophenyl)sulfanyl-6-methyl-1H-indol-2-yl]acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)sulfanyl-6-methyl-1H-indol-2-yl]acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)sulfanyl-6-methyl-1H-indol-2-yl]acetamide is Cc1ccc2c(Sc3ccc(Cl)cc3)c(CC(N)=O)[nH]c2c1.
What is the InChIKey of 2-[3-(4-chlorophenyl)sulfanyl-6-methyl-1H-indol-2-yl]acetamide?
The InChIKey is RDDSJUFDSFKDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS/c1-10-2-7-13-14(8-10)20-15(9-16(19)21)17(13)22-12-5-3-11(18)4-6-12/h2-8,20H,9H2,1H3,(H2,19,21).
What are the key properties of 2-[3-(4-chlorophenyl)sulfanyl-6-methyl-1H-indol-2-yl]acetamide?
2-[3-(4-chlorophenyl)sulfanyl-6-methyl-1H-indol-2-yl]acetamide has a molecular weight of 330.84 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)sulfanyl-6-methyl-1H-indol-2-yl]acetamide is sourced from PubChem (CID 90480445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).