2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide

C23H29N3O4S — CID 30223699

IUPAC2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCc1cccc(C)c1N(CC(=O)NCc1cccc(CN2CCCC2=O)c1)S(C)(=O)=O
InChIInChI=1S/C23H29N3O4S/c1-17-7-4-8-18(2)23(17)26(31(3,29)30)16-21(27)24-14-19-9-5-10-20(13-19)15-25-12-6-11-22(25)28/h4-5,7-10,13H,6,11-12,14-16H2,1-3H3,(H,24,27)
InChIKeyFPVQIWQAPYXMEQ-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.51
Rot. Bonds8

About 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide

2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide (PubChem CID 30223699) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
PubChem CID30223699
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCc1cccc(C)c1N(CC(=O)NCc1cccc(CN2CCCC2=O)c1)S(C)(=O)=O
InChIInChI=1S/C23H29N3O4S/c1-17-7-4-8-18(2)23(17)26(31(3,29)30)16-21(27)24-14-19-9-5-10-20(13-19)15-25-12-6-11-22(25)28/h4-5,7-10,13H,6,11-12,14-16H2,1-3H3,(H,24,27)
InChIKeyFPVQIWQAPYXMEQ-UHFFFAOYSA-N
XLogP2.51
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30222894
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30225013
N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30302324
2-[N-(benzenesulfonyl)anilino]-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30174183
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30218577
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30223117
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 43894826
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30302333
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30213124
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30200577
2-(4-bromo-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30220004
2-(4-fluoro-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30221989

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide?
The IUPAC name of 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide (CID 30223699) is 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide is Cc1cccc(C)c1N(CC(=O)NCc1cccc(CN2CCCC2=O)c1)S(C)(=O)=O.
What is the InChIKey of 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide?
The InChIKey is FPVQIWQAPYXMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-17-7-4-8-18(2)23(17)26(31(3,29)30)16-21(27)24-14-19-9-5-10-20(13-19)15-25-12-6-11-22(25)28/h4-5,7-10,13H,6,11-12,14-16H2,1-3H3,(H,24,27).
What are the key properties of 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide?
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide has a molecular weight of 443.57 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 30223699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).