N-(5-chloro-2-methoxyphenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide

C17H19ClN2O2S — CID 55827066

IUPACN-(5-chloro-2-methoxyphenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1CCCC1c1ccsc1
InChIInChI=1S/C17H19ClN2O2S/c1-22-16-5-4-13(18)9-14(16)19-17(21)10-20-7-2-3-15(20)12-6-8-23-11-12/h4-6,8-9,11,15H,2-3,7,10H2,1H3,(H,19,21)
InChIKeyFAXJROLLAWCTCO-UHFFFAOYSA-N
MW350.87 g/mol
LogP4.19
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide

N-(5-chloro-2-methoxyphenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide (PubChem CID 55827066) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
PubChem CID55827066
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1CCCC1c1ccsc1
InChIInChI=1S/C17H19ClN2O2S/c1-22-16-5-4-13(18)9-14(16)19-17(21)10-20-7-2-3-15(20)12-6-8-23-11-12/h4-6,8-9,11,15H,2-3,7,10H2,1H3,(H,19,21)
InChIKeyFAXJROLLAWCTCO-UHFFFAOYSA-N
XLogP4.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-nitrophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
CID 55850231
methyl 2-[1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperidin-2-yl]acetate
CID 60524285
N-(5-chloro-2-methylphenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8831667
2-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 42950760
N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide
CID 55839490
N-(2-methoxy-5-methylphenyl)-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51172175
N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 41416275
N-(5-chloro-2-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681972
N-(5-chloro-2-methoxyphenyl)-3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 55482977
2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 78894098
N-(5-chloro-2-methoxyphenyl)-2-[4-(cyclohexylmethyl)piperazin-1-yl]acetamide
CID 60563453
N-(2-methoxy-5-methylphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 25470768

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide (CID 55827066) is N-(5-chloro-2-methoxyphenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide is COc1ccc(Cl)cc1NC(=O)CN1CCCC1c1ccsc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide?
The InChIKey is FAXJROLLAWCTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c1-22-16-5-4-13(18)9-14(16)19-17(21)10-20-7-2-3-15(20)12-6-8-23-11-12/h4-6,8-9,11,15H,2-3,7,10H2,1H3,(H,19,21).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide has a molecular weight of 350.87 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 55827066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).