N-[4-methyl-3-[3-(methylamino)pyrrolidin-1-yl]sulfonylphenyl]acetamide

C14H21N3O3S — CID 115300406

IUPACN-[4-methyl-3-[3-(methylamino)pyrrolidin-1-yl]sulfonylphenyl]acetamide
SMILESCNC1CCN(S(=O)(=O)c2cc(NC(C)=O)ccc2C)C1
InChIInChI=1S/C14H21N3O3S/c1-10-4-5-12(16-11(2)18)8-14(10)21(19,20)17-7-6-13(9-17)15-3/h4-5,8,13,15H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyIQBBMZQLLPZDPT-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.94
Rot. Bonds4

About N-[4-methyl-3-[3-(methylamino)pyrrolidin-1-yl]sulfonylphenyl]acetamide

N-[4-methyl-3-[3-(methylamino)pyrrolidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 115300406) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[4-methyl-3-[3-(methylamino)pyrrolidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-[3-(methylamino)pyrrolidin-1-yl]sulfonylphenyl]acetamide
PubChem CID115300406
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-[4-methyl-3-[3-(methylamino)pyrrolidin-1-yl]sulfonylphenyl]acetamide
SMILESCNC1CCN(S(=O)(=O)c2cc(NC(C)=O)ccc2C)C1
InChIInChI=1S/C14H21N3O3S/c1-10-4-5-12(16-11(2)18)8-14(10)21(19,20)17-7-6-13(9-17)15-3/h4-5,8,13,15H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyIQBBMZQLLPZDPT-UHFFFAOYSA-N
XLogP0.94
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-methyl-3-[3-(methylamino)pyrrolidin-1-yl]sulfonylphenyl]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

N-[3-(3-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]acetamide
CID 60777997
methyl 4-methyl-3-[3-(methylamino)pyrrolidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119963116
N-(4-acetamidophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254979
1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980300
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
N-methyl-1-(2-methyl-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine
CID 120715329
1-methyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 50875261
N-[4-methyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 39795157
N-[4-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide
CID 90637690
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
CID 119675127
N-[4-methyl-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 31812779
N-(3,4-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254940

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[3-(methylamino)pyrrolidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-methyl-3-[3-(methylamino)pyrrolidin-1-yl]sulfonylphenyl]acetamide (CID 115300406) is N-[4-methyl-3-[3-(methylamino)pyrrolidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-methyl-3-[3-(methylamino)pyrrolidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-methyl-3-[3-(methylamino)pyrrolidin-1-yl]sulfonylphenyl]acetamide is CNC1CCN(S(=O)(=O)c2cc(NC(C)=O)ccc2C)C1.
What is the InChIKey of N-[4-methyl-3-[3-(methylamino)pyrrolidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is IQBBMZQLLPZDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10-4-5-12(16-11(2)18)8-14(10)21(19,20)17-7-6-13(9-17)15-3/h4-5,8,13,15H,6-7,9H2,1-3H3,(H,16,18).
What are the key properties of N-[4-methyl-3-[3-(methylamino)pyrrolidin-1-yl]sulfonylphenyl]acetamide?
N-[4-methyl-3-[3-(methylamino)pyrrolidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 311.41 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[3-(methylamino)pyrrolidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 115300406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).