N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(2-oxopyrrolidin-1-yl)acetamide

C17H17ClN2O2S — CID 122132392

IUPACN-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)NC(c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C17H17ClN2O2S/c18-13-7-5-12(6-8-13)17(14-3-2-10-23-14)19-15(21)11-20-9-1-4-16(20)22/h2-3,5-8,10,17H,1,4,9,11H2,(H,19,21)
InChIKeyQDJZHZIBIRYRHZ-UHFFFAOYSA-N
MW348.86 g/mol
LogP3.23
Rot. Bonds5

About N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 122132392) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID122132392
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC NameN-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)NC(c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C17H17ClN2O2S/c18-13-7-5-12(6-8-13)17(14-3-2-10-23-14)19-15(21)11-20-9-1-4-16(20)22/h2-3,5-8,10,17H,1,4,9,11H2,(H,19,21)
InChIKeyQDJZHZIBIRYRHZ-UHFFFAOYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 55866569
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78887945
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46613984
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide
CID 46700054
2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41176869
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 41099176
4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide
CID 119296390
1-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-[(R)-phenyl(thiophen-2-yl)methyl]urea
CID 51728503
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-oxoazocan-1-yl)acetamide
CID 122132393
(2R)-2-(2-chlorophenyl)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetic acid
CID 107314795
ethyl 4-[[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-4-oxobutanoate
CID 51954482
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 55798758

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 122132392) is N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(2-oxopyrrolidin-1-yl)acetamide is O=C(CN1CCCC1=O)NC(c1ccc(Cl)cc1)c1cccs1.
What is the InChIKey of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is QDJZHZIBIRYRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c18-13-7-5-12(6-8-13)17(14-3-2-10-23-14)19-15(21)11-20-9-1-4-16(20)22/h2-3,5-8,10,17H,1,4,9,11H2,(H,19,21).
What are the key properties of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 348.86 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 122132392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).