3-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide

C17H19ClN2OS — CID 16931584

IUPAC3-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide
SMILESO=C(NCC(c1ccsc1)N1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2OS/c18-15-5-3-4-13(10-15)17(21)19-11-16(14-6-9-22-12-14)20-7-1-2-8-20/h3-6,9-10,12,16H,1-2,7-8,11H2,(H,19,21)
InChIKeyLXCJTFOPKJNHOV-UHFFFAOYSA-N
MW334.87 g/mol
LogP3.97
Rot. Bonds5

About 3-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide

3-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide (PubChem CID 16931584) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is 3-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide
PubChem CID16931584
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC Name3-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide
SMILESO=C(NCC(c1ccsc1)N1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2OS/c18-15-5-3-4-13(10-15)17(21)19-11-16(14-6-9-22-12-14)20-7-1-2-8-20/h3-6,9-10,12,16H,1-2,7-8,11H2,(H,19,21)
InChIKeyLXCJTFOPKJNHOV-UHFFFAOYSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2179888
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CID 2481080
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CID 2532766
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide?
The IUPAC name of 3-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide (CID 16931584) is 3-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 3-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 3-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide is O=C(NCC(c1ccsc1)N1CCCC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide?
The InChIKey is LXCJTFOPKJNHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c18-15-5-3-4-13(10-15)17(21)19-11-16(14-6-9-22-12-14)20-7-1-2-8-20/h3-6,9-10,12,16H,1-2,7-8,11H2,(H,19,21).
What are the key properties of 3-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide?
3-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide has a molecular weight of 334.87 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 16931584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).