N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide

C23H29N3O4S — CID 30302324

IUPACN-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cc(C)c(N(CC(=O)NCc2cccc(N3CCCC3=O)c2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C23H29N3O4S/c1-16-11-17(2)23(18(3)12-16)26(31(4,29)30)15-21(27)24-14-19-7-5-8-20(13-19)25-10-6-9-22(25)28/h5,7-8,11-13H,6,9-10,14-15H2,1-4H3,(H,24,27)
InChIKeyMIIQPWBYHVXGQH-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.82
Rot. Bonds7

About N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide

N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 30302324) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
PubChem CID30302324
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cc(C)c(N(CC(=O)NCc2cccc(N3CCCC3=O)c2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C23H29N3O4S/c1-16-11-17(2)23(18(3)12-16)26(31(4,29)30)15-21(27)24-14-19-7-5-8-20(13-19)25-10-6-9-22(25)28/h5,7-8,11-13H,6,9-10,14-15H2,1-4H3,(H,24,27)
InChIKeyMIIQPWBYHVXGQH-UHFFFAOYSA-N
XLogP2.82
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 30245238
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 30223112
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30223699
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 30222191
(2R)-2-methylsulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 94249524
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 39004153
2-(4-methyl-2-oxo-1-pyridinyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 75381787
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 43892755
2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 43896948
N-[(4-methylphenyl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30263870
2-[(3-methylphenyl)methylsulfanyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 39003307
2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 113155019

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide (CID 30302324) is N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide is Cc1cc(C)c(N(CC(=O)NCc2cccc(N3CCCC3=O)c2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is MIIQPWBYHVXGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-16-11-17(2)23(18(3)12-16)26(31(4,29)30)15-21(27)24-14-19-7-5-8-20(13-19)25-10-6-9-22(25)28/h5,7-8,11-13H,6,9-10,14-15H2,1-4H3,(H,24,27).
What are the key properties of N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 443.57 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30302324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).