4-[methyl(methylsulfonyl)amino]-N-propylbenzamide

C12H18N2O3S — CID 53279666

IUPAC4-[methyl(methylsulfonyl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-4-9-13-12(15)10-5-7-11(8-6-10)14(2)18(3,16)17/h5-8H,4,9H2,1-3H3,(H,13,15)
InChIKeyOQWTUGJKIGNFCC-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.22
Rot. Bonds5

About 4-[methyl(methylsulfonyl)amino]-N-propylbenzamide

4-[methyl(methylsulfonyl)amino]-N-propylbenzamide (PubChem CID 53279666) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-[methyl(methylsulfonyl)amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[methyl(methylsulfonyl)amino]-N-propylbenzamide
PubChem CID53279666
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-[methyl(methylsulfonyl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-4-9-13-12(15)10-5-7-11(8-6-10)14(2)18(3,16)17/h5-8H,4,9H2,1-3H3,(H,13,15)
InChIKeyOQWTUGJKIGNFCC-UHFFFAOYSA-N
XLogP1.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(hydrazinecarbonyl)phenyl]-N-methylmethanesulfonamide
CID 91671626
4-[methyl(propan-2-yl)amino]-N-propylbenzamide
CID 91434039
4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115
N-methyl-4-[methyl(methylsulfonyl)amino]benzamide
CID 4662443
N-[2-(4-chlorophenyl)sulfanylethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 2198136
4-[methyl(methylsulfonyl)amino]-N-(pyridin-4-ylmethyl)benzamide
CID 900511
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propylacetamide
CID 30128294
N-[2-(cyclohexen-1-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 951577
N-(3-imidazol-1-ylpropyl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 6493669
2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-pentylacetamide
CID 100787251
4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propylbenzamide
CID 109057932
4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide
CID 2193999

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(methylsulfonyl)amino]-N-propylbenzamide?
The IUPAC name of 4-[methyl(methylsulfonyl)amino]-N-propylbenzamide (CID 53279666) is 4-[methyl(methylsulfonyl)amino]-N-propylbenzamide.
What is the SMILES notation for 4-[methyl(methylsulfonyl)amino]-N-propylbenzamide?
The canonical SMILES for 4-[methyl(methylsulfonyl)amino]-N-propylbenzamide is CCCNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1.
What is the InChIKey of 4-[methyl(methylsulfonyl)amino]-N-propylbenzamide?
The InChIKey is OQWTUGJKIGNFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-4-9-13-12(15)10-5-7-11(8-6-10)14(2)18(3,16)17/h5-8H,4,9H2,1-3H3,(H,13,15).
What are the key properties of 4-[methyl(methylsulfonyl)amino]-N-propylbenzamide?
4-[methyl(methylsulfonyl)amino]-N-propylbenzamide has a molecular weight of 270.35 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(methylsulfonyl)amino]-N-propylbenzamide is sourced from PubChem (CID 53279666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).