N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylpropanamide

C14H17ClN2O2S — CID 47352609

IUPACN-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl
InChIInChI=1S/C14H17ClN2O2S/c1-9(20-2)14(19)16-12-8-10(5-6-11(12)15)17-7-3-4-13(17)18/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,19)
InChIKeySFFOGWATEBMKCD-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.16
Rot. Bonds4

About N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylpropanamide

N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylpropanamide (PubChem CID 47352609) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylpropanamide
PubChem CID47352609
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC NameN-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl
InChIInChI=1S/C14H17ClN2O2S/c1-9(20-2)14(19)16-12-8-10(5-6-11(12)15)17-7-3-4-13(17)18/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,19)
InChIKeySFFOGWATEBMKCD-UHFFFAOYSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-chloro-5-(2-oxopyrrolidin-1-yl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide
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N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-(dimethylamino)azetidine-1-carboxamide
CID 86789969
N'-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]oxamide
CID 47043061
2-chloro-N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide
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CID 55675256
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CID 55675283
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 47029857
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
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4-chloro-3-[3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoylamino]-N-propan-2-ylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylpropanamide?
The IUPAC name of N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylpropanamide (CID 47352609) is N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylpropanamide.
What is the SMILES notation for N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylpropanamide?
The canonical SMILES for N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylpropanamide is CSC(C)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylpropanamide?
The InChIKey is SFFOGWATEBMKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S/c1-9(20-2)14(19)16-12-8-10(5-6-11(12)15)17-7-3-4-13(17)18/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,19).
What are the key properties of N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylpropanamide?
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylpropanamide has a molecular weight of 312.82 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylpropanamide is sourced from PubChem (CID 47352609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).