N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide

C20H25ClN2OS — CID 46446913

IUPACN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NCC(c1ccccc1Cl)N1CCCC1
InChIInChI=1S/C20H25ClN2OS/c21-18-10-2-1-9-17(18)19(23-12-3-4-13-23)15-22-20(24)11-5-7-16-8-6-14-25-16/h1-2,6,8-10,14,19H,3-5,7,11-13,15H2,(H,22,24)
InChIKeyTYZDWUKLJKOYGE-UHFFFAOYSA-N
MW376.95 g/mol
LogP4.68
Rot. Bonds8

About N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide

N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide (PubChem CID 46446913) has the molecular formula C20H25ClN2OS and a molecular weight of 376.95 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide
PubChem CID46446913
Molecular FormulaC20H25ClN2OS
Molecular Weight376.95 g/mol
Exact Mass376.14
IUPAC NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NCC(c1ccccc1Cl)N1CCCC1
InChIInChI=1S/C20H25ClN2OS/c21-18-10-2-1-9-17(18)19(23-12-3-4-13-23)15-22-20(24)11-5-7-16-8-6-14-25-16/h1-2,6,8-10,14,19H,3-5,7,11-13,15H2,(H,22,24)
InChIKeyTYZDWUKLJKOYGE-UHFFFAOYSA-N
XLogP4.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.95
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-thiophen-3-ylpropanamide
CID 46446817
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide
CID 43005713
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 35041740
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 37050457
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-thiophen-2-ylpropanamide
CID 110304194
N-[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984684
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(3,4-difluorophenyl)propanamide
CID 46446929
acetonitrile;tris(N-[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]thiophene-2-carboxamide);trihydrochloride
CID 175662898
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-naphthalen-1-ylacetamide
CID 35043919
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)propanamide
CID 39590991
N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-thiophen-2-ylpentanamide
CID 110302964
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110301837

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide (CID 46446913) is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)NCC(c1ccccc1Cl)N1CCCC1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide?
The InChIKey is TYZDWUKLJKOYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2OS/c21-18-10-2-1-9-17(18)19(23-12-3-4-13-23)15-22-20(24)11-5-7-16-8-6-14-25-16/h1-2,6,8-10,14,19H,3-5,7,11-13,15H2,(H,22,24).
What are the key properties of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide?
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide has a molecular weight of 376.95 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 46446913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).