N-[(4-chlorophenyl)methyl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide

C18H20ClN3O4S — CID 7992671

IUPACN-[(4-chlorophenyl)methyl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
SMILESO=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O4S/c19-15-5-3-14(4-6-15)11-20-17(23)13-21-12-16(7-8-18(21)24)27(25,26)22-9-1-2-10-22/h3-8,12H,1-2,9-11,13H2,(H,20,23)
InChIKeyOOOGVTAHDNLYSG-UHFFFAOYSA-N
MW409.90 g/mol
LogP1.60
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide

N-[(4-chlorophenyl)methyl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide (PubChem CID 7992671) has the molecular formula C18H20ClN3O4S and a molecular weight of 409.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
PubChem CID7992671
Molecular FormulaC18H20ClN3O4S
Molecular Weight409.90 g/mol
Exact Mass409.09
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
SMILESO=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O4S/c19-15-5-3-14(4-6-15)11-20-17(23)13-21-12-16(7-8-18(21)24)27(25,26)22-9-1-2-10-22/h3-8,12H,1-2,9-11,13H2,(H,20,23)
InChIKeyOOOGVTAHDNLYSG-UHFFFAOYSA-N
XLogP1.60
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide
CID 53170666
N-(4-chlorophenyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992765
N-(4-chloro-2-methylphenyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992594
N-(4-ethylphenyl)-2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170608
N-butan-2-yl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170604
N-cyclohexyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992789
N-cycloheptyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 9267746
1-(4-chlorophenyl)-3-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]urea
CID 108782077
methyl 2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetate
CID 53170566
2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide
CID 53170639
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 2599269
1-[1-(4-chlorophenyl)ethyl]-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 42928242

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide (CID 7992671) is N-[(4-chlorophenyl)methyl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide is O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
The InChIKey is OOOGVTAHDNLYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4S/c19-15-5-3-14(4-6-15)11-20-17(23)13-21-12-16(7-8-18(21)24)27(25,26)22-9-1-2-10-22/h3-8,12H,1-2,9-11,13H2,(H,20,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
N-[(4-chlorophenyl)methyl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide has a molecular weight of 409.90 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide is sourced from PubChem (CID 7992671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).