N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)benzamide

C22H19ClN2OS — CID 86699431

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2cccs2)c1
InChIInChI=1S/C22H19ClN2OS/c23-18-6-7-21-20(13-18)17(14-25-21)8-9-24-22(26)16-4-1-3-15(11-16)12-19-5-2-10-27-19/h1-7,10-11,13-14,25H,8-9,12H2,(H,24,26)
InChIKeyKCTFIQUVSYCYFQ-UHFFFAOYSA-N
MW394.93 g/mol
LogP5.45
Rot. Bonds6

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)benzamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)benzamide (PubChem CID 86699431) has the molecular formula C22H19ClN2OS and a molecular weight of 394.93 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)benzamide
PubChem CID86699431
Molecular FormulaC22H19ClN2OS
Molecular Weight394.93 g/mol
Exact Mass394.09
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2cccs2)c1
InChIInChI=1S/C22H19ClN2OS/c23-18-6-7-21-20(13-18)17(14-25-21)8-9-24-22(26)16-4-1-3-15(11-16)12-19-5-2-10-27-19/h1-7,10-11,13-14,25H,8-9,12H2,(H,24,26)
InChIKeyKCTFIQUVSYCYFQ-UHFFFAOYSA-N
XLogP5.45
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.93
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)benzamide (CID 86699431) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)benzamide is O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2cccs2)c1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)benzamide?
The InChIKey is KCTFIQUVSYCYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2OS/c23-18-6-7-21-20(13-18)17(14-25-21)8-9-24-22(26)16-4-1-3-15(11-16)12-19-5-2-10-27-19/h1-7,10-11,13-14,25H,8-9,12H2,(H,24,26).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)benzamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)benzamide has a molecular weight of 394.93 g/mol, XLogP of 5.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 86699431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).