3-(2,2-dimethylpropanoylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide

C18H27N3O4S — CID 46419714

IUPAC3-(2,2-dimethylpropanoylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C18H27N3O4S/c1-18(2,3)17(23)20-15-7-5-6-13(12-15)16(22)19-14-8-10-21(11-9-14)26(4,24)25/h5-7,12,14H,8-11H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyDYWHLJDTPDRRCP-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.83
Rot. Bonds4

About 3-(2,2-dimethylpropanoylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide

3-(2,2-dimethylpropanoylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide (PubChem CID 46419714) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
PubChem CID46419714
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name3-(2,2-dimethylpropanoylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C18H27N3O4S/c1-18(2,3)17(23)20-15-7-5-6-13(12-15)16(22)19-14-8-10-21(11-9-14)26(4,24)25/h5-7,12,14H,8-11H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyDYWHLJDTPDRRCP-UHFFFAOYSA-N
XLogP1.83
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2,2-dimethylpropanoylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide 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-cyclohexyl-3-(2,2-dimethylpropanoylamino)benzamide
CID 17170559
3-(2,2-dimethylpropanoylamino)-N-(4-methylcyclohexyl)benzamide
CID 134057675
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
3-(3-hydroxy-3-methylbutyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 70749711
N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770
3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
CID 26110808
3-(2-methoxyethylsulfamoyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999775
3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 5017279
4-amino-N-(1-methylsulfonylpiperidin-4-yl)benzamide;hydrochloride
CID 119699919
2,2-dimethyl-N-[3-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]carbamoyl]phenyl]propanamide
CID 30544816
N-(1-methylsulfonylpiperidin-4-yl)-3-(pyrazol-1-ylmethyl)benzamide
CID 70748260
3-(2,2-dimethylpropanoylamino)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 111661623

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide (CID 46419714) is 3-(2,2-dimethylpropanoylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide is CC(C)(C)C(=O)Nc1cccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)c1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The InChIKey is DYWHLJDTPDRRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-18(2,3)17(23)20-15-7-5-6-13(12-15)16(22)19-14-8-10-21(11-9-14)26(4,24)25/h5-7,12,14H,8-11H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
3-(2,2-dimethylpropanoylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide has a molecular weight of 381.50 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide is sourced from PubChem (CID 46419714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).