5-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide

C18H21ClN2O2S — CID 43005379

IUPAC5-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(Cl)s2)N2CCCC2)cc1
InChIInChI=1S/C18H21ClN2O2S/c1-23-14-6-4-13(5-7-14)15(21-10-2-3-11-21)12-20-18(22)16-8-9-17(19)24-16/h4-9,15H,2-3,10-12H2,1H3,(H,20,22)
InChIKeyZUCQUCYHWKMLBH-UHFFFAOYSA-N
MW364.90 g/mol
LogP3.98
Rot. Bonds6

About 5-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide

5-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide (PubChem CID 43005379) has the molecular formula C18H21ClN2O2S and a molecular weight of 364.90 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
PubChem CID43005379
Molecular FormulaC18H21ClN2O2S
Molecular Weight364.90 g/mol
Exact Mass364.10
IUPAC Name5-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(Cl)s2)N2CCCC2)cc1
InChIInChI=1S/C18H21ClN2O2S/c1-23-14-6-4-13(5-7-14)15(21-10-2-3-11-21)12-20-18(22)16-8-9-17(19)24-16/h4-9,15H,2-3,10-12H2,1H3,(H,20,22)
InChIKeyZUCQUCYHWKMLBH-UHFFFAOYSA-N
XLogP3.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide
CID 4792798
2,5-dichloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-3-carboxamide
CID 17494054
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 17014765
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 17011758
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
5-bromo-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 51878966
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
2-(4-chlorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 40897308
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24544192
5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 35574949

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide (CID 43005379) is 5-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide is COc1ccc(C(CNC(=O)c2ccc(Cl)s2)N2CCCC2)cc1.
What is the InChIKey of 5-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide?
The InChIKey is ZUCQUCYHWKMLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2S/c1-23-14-6-4-13(5-7-14)15(21-10-2-3-11-21)12-20-18(22)16-8-9-17(19)24-16/h4-9,15H,2-3,10-12H2,1H3,(H,20,22).
What are the key properties of 5-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide?
5-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide has a molecular weight of 364.90 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 43005379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).