2-(3-chloro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide

C20H22ClN3O4S — CID 46763572

IUPAC2-(3-chloro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(N2CCCC2=O)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C20H22ClN3O4S/c1-14(24(29(2,27)28)18-6-3-5-15(21)13-18)20(26)22-16-8-10-17(11-9-16)23-12-4-7-19(23)25/h3,5-6,8-11,13-14H,4,7,12H2,1-2H3,(H,22,26)
InChIKeyXBOOPPWVDDAAKD-UHFFFAOYSA-N
MW435.93 g/mol
LogP3.26
Rot. Bonds6

About 2-(3-chloro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide

2-(3-chloro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (PubChem CID 46763572) has the molecular formula C20H22ClN3O4S and a molecular weight of 435.93 g/mol. Its IUPAC name is 2-(3-chloro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3-chloro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
PubChem CID46763572
Molecular FormulaC20H22ClN3O4S
Molecular Weight435.93 g/mol
Exact Mass435.10
IUPAC Name2-(3-chloro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(N2CCCC2=O)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C20H22ClN3O4S/c1-14(24(29(2,27)28)18-6-3-5-15(21)13-18)20(26)22-16-8-10-17(11-9-16)23-12-4-7-19(23)25/h3,5-6,8-11,13-14H,4,7,12H2,1-2H3,(H,22,26)
InChIKeyXBOOPPWVDDAAKD-UHFFFAOYSA-N
XLogP3.26
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.93
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 43876440
(2S)-2-(3-chlorophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 36569893
2-(3-chloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 133168887
(2S)-N-(3-chlorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 8967271
2-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 2987852
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 124561243
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 99950338
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166758
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 133166888
2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 53281520
(2S)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100503371
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]propanamide
CID 124554196

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (CID 46763572) is 2-(3-chloro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-(3-chloro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 2-(3-chloro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide is CC(C(=O)Nc1ccc(N2CCCC2=O)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3-chloro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is XBOOPPWVDDAAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4S/c1-14(24(29(2,27)28)18-6-3-5-15(21)13-18)20(26)22-16-8-10-17(11-9-16)23-12-4-7-19(23)25/h3,5-6,8-11,13-14H,4,7,12H2,1-2H3,(H,22,26).
What are the key properties of 2-(3-chloro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
2-(3-chloro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 435.93 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 46763572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).