3-(4-chlorophenyl)sulfanyl-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide

C19H20ClN3OS — CID 22513695

IUPAC3-(4-chlorophenyl)sulfanyl-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide
SMILESCN(C)CCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3OS/c1-23(2)12-11-21-19(24)17-18(15-5-3-4-6-16(15)22-17)25-14-9-7-13(20)8-10-14/h3-10,22H,11-12H2,1-2H3,(H,21,24)
InChIKeyCVJPVCQMAPIJEF-UHFFFAOYSA-N
MW373.91 g/mol
LogP4.26
Rot. Bonds6

About 3-(4-chlorophenyl)sulfanyl-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide

3-(4-chlorophenyl)sulfanyl-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide (PubChem CID 22513695) has the molecular formula C19H20ClN3OS and a molecular weight of 373.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide
PubChem CID22513695
Molecular FormulaC19H20ClN3OS
Molecular Weight373.91 g/mol
Exact Mass373.10
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide
SMILESCN(C)CCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3OS/c1-23(2)12-11-21-19(24)17-18(15-5-3-4-6-16(15)22-17)25-14-9-7-13(20)8-10-14/h3-10,22H,11-12H2,1-2H3,(H,21,24)
InChIKeyCVJPVCQMAPIJEF-UHFFFAOYSA-N
XLogP4.26
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide (CID 22513695) is 3-(4-chlorophenyl)sulfanyl-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide is CN(C)CCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide?
The InChIKey is CVJPVCQMAPIJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3OS/c1-23(2)12-11-21-19(24)17-18(15-5-3-4-6-16(15)22-17)25-14-9-7-13(20)8-10-14/h3-10,22H,11-12H2,1-2H3,(H,21,24).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide?
3-(4-chlorophenyl)sulfanyl-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide has a molecular weight of 373.91 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 22513695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).