N,3-dimethyl-4-(1-methylsulfonylpropan-2-ylamino)benzamide

C13H20N2O3S — CID 64630962

IUPACN,3-dimethyl-4-(1-methylsulfonylpropan-2-ylamino)benzamide
SMILESCNC(=O)c1ccc(NC(C)CS(C)(=O)=O)c(C)c1
InChIInChI=1S/C13H20N2O3S/c1-9-7-11(13(16)14-3)5-6-12(9)15-10(2)8-19(4,17)18/h5-7,10,15H,8H2,1-4H3,(H,14,16)
InChIKeyICSPITSLASFMJM-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.20
Rot. Bonds5

About N,3-dimethyl-4-(1-methylsulfonylpropan-2-ylamino)benzamide

N,3-dimethyl-4-(1-methylsulfonylpropan-2-ylamino)benzamide (PubChem CID 64630962) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N,3-dimethyl-4-(1-methylsulfonylpropan-2-ylamino)benzamide.

Molecular Properties

Compound NameN,3-dimethyl-4-(1-methylsulfonylpropan-2-ylamino)benzamide
PubChem CID64630962
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN,3-dimethyl-4-(1-methylsulfonylpropan-2-ylamino)benzamide
SMILESCNC(=O)c1ccc(NC(C)CS(C)(=O)=O)c(C)c1
InChIInChI=1S/C13H20N2O3S/c1-9-7-11(13(16)14-3)5-6-12(9)15-10(2)8-19(4,17)18/h5-7,10,15H,8H2,1-4H3,(H,14,16)
InChIKeyICSPITSLASFMJM-UHFFFAOYSA-N
XLogP1.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-(1-methylsulfonylpropan-2-ylamino)benzoic acid
CID 64629137
4-bromo-2-methyl-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64629495
4-amino-N-methyl-2-(1-methylsulfonylpropan-2-ylamino)benzamide
CID 64630405
N,3-dimethyl-4-(sulfamoylamino)benzamide
CID 112573608
3-chloro-4-(1-methylsulfonylpropan-2-ylamino)benzoic acid
CID 64642114
3-bromo-4-(1-methylsulfonylpropan-2-ylamino)benzoic acid
CID 82800377
4-(1-cyclopropylpropylamino)-N,3-dimethylbenzamide
CID 64917782
4-(4-hydroxypentanoylamino)-N,3-dimethylbenzamide
CID 79204777
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,3-dimethylbenzamide
CID 43740192
4-[1-(5-bromothiophen-2-yl)ethylamino]-N,3-dimethylbenzamide
CID 61001055
4-(2-methoxypropanoylamino)-N,3-dimethylbenzamide
CID 47307868
methyl 4-(1-methoxypropan-2-ylamino)-3-methylbenzoate
CID 62535082

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-(1-methylsulfonylpropan-2-ylamino)benzamide?
The IUPAC name of N,3-dimethyl-4-(1-methylsulfonylpropan-2-ylamino)benzamide (CID 64630962) is N,3-dimethyl-4-(1-methylsulfonylpropan-2-ylamino)benzamide.
What is the SMILES notation for N,3-dimethyl-4-(1-methylsulfonylpropan-2-ylamino)benzamide?
The canonical SMILES for N,3-dimethyl-4-(1-methylsulfonylpropan-2-ylamino)benzamide is CNC(=O)c1ccc(NC(C)CS(C)(=O)=O)c(C)c1.
What is the InChIKey of N,3-dimethyl-4-(1-methylsulfonylpropan-2-ylamino)benzamide?
The InChIKey is ICSPITSLASFMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-7-11(13(16)14-3)5-6-12(9)15-10(2)8-19(4,17)18/h5-7,10,15H,8H2,1-4H3,(H,14,16).
What are the key properties of N,3-dimethyl-4-(1-methylsulfonylpropan-2-ylamino)benzamide?
N,3-dimethyl-4-(1-methylsulfonylpropan-2-ylamino)benzamide has a molecular weight of 284.38 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-(1-methylsulfonylpropan-2-ylamino)benzamide is sourced from PubChem (CID 64630962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).