4-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide

C21H17ClN2OS — CID 8000233

IUPAC4-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
SMILESO=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClN2OS/c22-15-9-7-14(8-10-15)21(25)24-13-18(20-6-3-11-26-20)17-12-23-19-5-2-1-4-16(17)19/h1-12,18,23H,13H2,(H,24,25)/t18-/m0/s1
InChIKeyOLPNLHCNRVDUCH-SFHVURJKSA-N
MW380.90 g/mol
LogP5.44
Rot. Bonds5

About 4-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide

4-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide (PubChem CID 8000233) has the molecular formula C21H17ClN2OS and a molecular weight of 380.90 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
PubChem CID8000233
Molecular FormulaC21H17ClN2OS
Molecular Weight380.90 g/mol
Exact Mass380.08
IUPAC Name4-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
SMILESO=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClN2OS/c22-15-9-7-14(8-10-15)21(25)24-13-18(20-6-3-11-26-20)17-12-23-19-5-2-1-4-16(17)19/h1-12,18,23H,13H2,(H,24,25)/t18-/m0/s1
InChIKeyOLPNLHCNRVDUCH-SFHVURJKSA-N
XLogP5.44
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.90
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 4-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide (CID 8000233) is 4-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 4-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide is O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide?
The InChIKey is OLPNLHCNRVDUCH-SFHVURJKSA-N. The full InChI is InChI=1S/C21H17ClN2OS/c22-15-9-7-14(8-10-15)21(25)24-13-18(20-6-3-11-26-20)17-12-23-19-5-2-1-4-16(17)19/h1-12,18,23H,13H2,(H,24,25)/t18-/m0/s1.
What are the key properties of 4-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide?
4-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide has a molecular weight of 380.90 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 8000233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).