N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-thiophen-3-ylpropanamide

C19H23ClN2OS — CID 46446817

IUPACN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)NCC(c1ccccc1Cl)N1CCCC1
InChIInChI=1S/C19H23ClN2OS/c20-17-6-2-1-5-16(17)18(22-10-3-4-11-22)13-21-19(23)8-7-15-9-12-24-14-15/h1-2,5-6,9,12,14,18H,3-4,7-8,10-11,13H2,(H,21,23)
InChIKeyOOOVZRNKYGKCGP-UHFFFAOYSA-N
MW362.93 g/mol
LogP4.29
Rot. Bonds7

About N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-thiophen-3-ylpropanamide

N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-thiophen-3-ylpropanamide (PubChem CID 46446817) has the molecular formula C19H23ClN2OS and a molecular weight of 362.93 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-thiophen-3-ylpropanamide
PubChem CID46446817
Molecular FormulaC19H23ClN2OS
Molecular Weight362.93 g/mol
Exact Mass362.12
IUPAC NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)NCC(c1ccccc1Cl)N1CCCC1
InChIInChI=1S/C19H23ClN2OS/c20-17-6-2-1-5-16(17)18(22-10-3-4-11-22)13-21-19(23)8-7-15-9-12-24-14-15/h1-2,5-6,9,12,14,18H,3-4,7-8,10-11,13H2,(H,21,23)
InChIKeyOOOVZRNKYGKCGP-UHFFFAOYSA-N
XLogP4.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.93
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(3,4-difluorophenyl)propanamide
CID 46446929
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide
CID 46446913
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 37050457
N-[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984684
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)propanamide
CID 39590991
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(3-methylphenyl)propanamide
CID 51937855
N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chlorophenyl)acetamide
CID 124761077
N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-ethylphenoxy)acetamide
CID 35043337
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-naphthalen-1-ylacetamide
CID 35043919
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-3-phenylpropanamide
CID 16931428
N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-(4-hydroxyphenyl)propanamide
CID 124846032
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 112506817

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-thiophen-3-ylpropanamide (CID 46446817) is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-thiophen-3-ylpropanamide is O=C(CCc1ccsc1)NCC(c1ccccc1Cl)N1CCCC1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-thiophen-3-ylpropanamide?
The InChIKey is OOOVZRNKYGKCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2OS/c20-17-6-2-1-5-16(17)18(22-10-3-4-11-22)13-21-19(23)8-7-15-9-12-24-14-15/h1-2,5-6,9,12,14,18H,3-4,7-8,10-11,13H2,(H,21,23).
What are the key properties of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-thiophen-3-ylpropanamide?
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-thiophen-3-ylpropanamide has a molecular weight of 362.93 g/mol, XLogP of 4.29, 7 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]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 46446817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).