N-benzyl-4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide

C19H23NO3S — CID 30099628

IUPACN-benzyl-4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C19H23NO3S/c1-15(2)20(13-16-7-5-4-6-8-16)19(21)18-11-9-17(10-12-18)14-24(3,22)23/h4-12,15H,13-14H2,1-3H3
InChIKeyJPAJVUCANPZXMH-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.28
Rot. Bonds6

About N-benzyl-4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide

N-benzyl-4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide (PubChem CID 30099628) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-benzyl-4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide
PubChem CID30099628
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-benzyl-4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C19H23NO3S/c1-15(2)20(13-16-7-5-4-6-8-16)19(21)18-11-9-17(10-12-18)14-24(3,22)23/h4-12,15H,13-14H2,1-3H3
InChIKeyJPAJVUCANPZXMH-UHFFFAOYSA-N
XLogP3.28
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide 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-benzyl-4-(methylsulfonylmethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56500850
4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-benzyl-N-propan-2-ylbenzamide
CID 39080326
N-benzyl-4-(methylsulfonylmethyl)-N-propylbenzamide
CID 78781600
4-N-benzyl-1-N-methyl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109048603
[4-[[(4-phenylbenzoyl)-propan-2-ylamino]methyl]phenyl] methanesulfonate
CID 4046632
N-benzyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 30100120
N-benzyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 51180384
N-benzyl-3-bromo-4-methyl-N-propan-2-ylbenzamide
CID 81457215
N-benzyl-1-methylsulfonyl-N-propan-2-yl-2,3-dihydroindole-5-carboxamide
CID 51323616
N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide
CID 807482
N-benzyl-4-(4-methylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109046122
N-benzyl-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
CID 2813483

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide?
The IUPAC name of N-benzyl-4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide (CID 30099628) is N-benzyl-4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for N-benzyl-4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for N-benzyl-4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide is CC(C)N(Cc1ccccc1)C(=O)c1ccc(CS(C)(=O)=O)cc1.
What is the InChIKey of N-benzyl-4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide?
The InChIKey is JPAJVUCANPZXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-15(2)20(13-16-7-5-4-6-8-16)19(21)18-11-9-17(10-12-18)14-24(3,22)23/h4-12,15H,13-14H2,1-3H3.
What are the key properties of N-benzyl-4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide?
N-benzyl-4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide has a molecular weight of 345.46 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 30099628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).