N-(4-chloro-2-methylphenyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide

C18H20ClN3O4S — CID 7992594

IUPACN-(4-chloro-2-methylphenyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O
InChIInChI=1S/C18H20ClN3O4S/c1-13-10-14(19)4-6-16(13)20-17(23)12-21-11-15(5-7-18(21)24)27(25,26)22-8-2-3-9-22/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,20,23)
InChIKeyBGGPVUFVRHXSJL-UHFFFAOYSA-N
MW409.90 g/mol
LogP2.23
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide

N-(4-chloro-2-methylphenyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide (PubChem CID 7992594) has the molecular formula C18H20ClN3O4S and a molecular weight of 409.90 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
PubChem CID7992594
Molecular FormulaC18H20ClN3O4S
Molecular Weight409.90 g/mol
Exact Mass409.09
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O
InChIInChI=1S/C18H20ClN3O4S/c1-13-10-14(19)4-6-16(13)20-17(23)12-21-11-15(5-7-18(21)24)27(25,26)22-8-2-3-9-22/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,20,23)
InChIKeyBGGPVUFVRHXSJL-UHFFFAOYSA-N
XLogP2.23
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992765
N-(4-chloro-2-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 7828841
N-(2-ethylphenyl)-2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170607
N-[(4-chlorophenyl)methyl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992671
2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8639413
2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide
CID 53170636
N-(4-ethylphenyl)-2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170608
N-(4-chloro-2-methylphenyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-3-yl)propanamide
CID 53081166
N-butan-2-yl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170604
2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide
CID 53170639
methyl 2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetate
CID 53170566
N-cyclohexyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992789

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide (CID 7992594) is N-(4-chloro-2-methylphenyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide is Cc1cc(Cl)ccc1NC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
The InChIKey is BGGPVUFVRHXSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4S/c1-13-10-14(19)4-6-16(13)20-17(23)12-21-11-15(5-7-18(21)24)27(25,26)22-8-2-3-9-22/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,20,23).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
N-(4-chloro-2-methylphenyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide has a molecular weight of 409.90 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide is sourced from PubChem (CID 7992594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).