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

C18H17ClN2OS — CID 6623806

IUPAC3-(4-chlorophenyl)sulfanyl-N-propyl-1H-indole-2-carboxamide
SMILESCCCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2OS/c1-2-11-20-18(22)16-17(14-5-3-4-6-15(14)21-16)23-13-9-7-12(19)8-10-13/h3-10,21H,2,11H2,1H3,(H,20,22)
InChIKeyDIIIJRWKAHPOBO-UHFFFAOYSA-N
MW344.87 g/mol
LogP5.11
Rot. Bonds5

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

3-(4-chlorophenyl)sulfanyl-N-propyl-1H-indole-2-carboxamide (PubChem CID 6623806) has the molecular formula C18H17ClN2OS and a molecular weight of 344.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-propyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-propyl-1H-indole-2-carboxamide
PubChem CID6623806
Molecular FormulaC18H17ClN2OS
Molecular Weight344.87 g/mol
Exact Mass344.08
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-propyl-1H-indole-2-carboxamide
SMILESCCCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2OS/c1-2-11-20-18(22)16-17(14-5-3-4-6-15(14)21-16)23-13-9-7-12(19)8-10-13/h3-10,21H,2,11H2,1H3,(H,20,22)
InChIKeyDIIIJRWKAHPOBO-UHFFFAOYSA-N
XLogP5.11
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.87
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide
CID 22513700
3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide
CID 22513661
3-(4-methylphenyl)sulfanyl-N-(3-propan-2-yloxypropyl)-1H-indole-2-carboxamide
CID 22513671
N-phenyl-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 67754049
2,3-bis[(4-chlorophenyl)sulfanyl]-1H-indole
CID 10453718
ethyl 3-(4-chlorophenyl)sulfanyl-5-methyl-1H-indole-2-carboxylate
CID 71625158
N-benzyl-6-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513772
3-[(4-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1H-indole-2-carboxamide
CID 46391875
6-chloro-3-[(dimethylamino)methyl]-N-propyl-1H-indole-2-carboxamide
CID 155523189
3-(4-chlorophenyl)sulfanyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 90645721
3-[(4-chlorobenzoyl)amino]-5-methyl-N-propyl-1H-indole-2-carboxamide
CID 50834469
3-(4-chlorophenyl)sulfanyl-N-cyclohexyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 54592070

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-propyl-1H-indole-2-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-propyl-1H-indole-2-carboxamide (CID 6623806) is 3-(4-chlorophenyl)sulfanyl-N-propyl-1H-indole-2-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-propyl-1H-indole-2-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-propyl-1H-indole-2-carboxamide is CCCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-propyl-1H-indole-2-carboxamide?
The InChIKey is DIIIJRWKAHPOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2OS/c1-2-11-20-18(22)16-17(14-5-3-4-6-15(14)21-16)23-13-9-7-12(19)8-10-13/h3-10,21H,2,11H2,1H3,(H,20,22).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-propyl-1H-indole-2-carboxamide?
3-(4-chlorophenyl)sulfanyl-N-propyl-1H-indole-2-carboxamide has a molecular weight of 344.87 g/mol, XLogP of 5.11, 5 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-propyl-1H-indole-2-carboxamide is sourced from PubChem (CID 6623806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).