N,2-dimethyl-3-[(2-methylthian-3-yl)amino]benzamide

C15H22N2OS — CID 79957935

IUPACN,2-dimethyl-3-[(2-methylthian-3-yl)amino]benzamide
SMILESCNC(=O)c1cccc(NC2CCCSC2C)c1C
InChIInChI=1S/C15H22N2OS/c1-10-12(15(18)16-3)6-4-7-13(10)17-14-8-5-9-19-11(14)2/h4,6-7,11,14,17H,5,8-9H2,1-3H3,(H,16,18)
InChIKeyHKJIFAKQKOKACA-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.05
Rot. Bonds3

About N,2-dimethyl-3-[(2-methylthian-3-yl)amino]benzamide

N,2-dimethyl-3-[(2-methylthian-3-yl)amino]benzamide (PubChem CID 79957935) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N,2-dimethyl-3-[(2-methylthian-3-yl)amino]benzamide.

Molecular Properties

Compound NameN,2-dimethyl-3-[(2-methylthian-3-yl)amino]benzamide
PubChem CID79957935
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN,2-dimethyl-3-[(2-methylthian-3-yl)amino]benzamide
SMILESCNC(=O)c1cccc(NC2CCCSC2C)c1C
InChIInChI=1S/C15H22N2OS/c1-10-12(15(18)16-3)6-4-7-13(10)17-14-8-5-9-19-11(14)2/h4,6-7,11,14,17H,5,8-9H2,1-3H3,(H,16,18)
InChIKeyHKJIFAKQKOKACA-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-3-[(2-methylthiolan-3-yl)amino]benzamide
CID 102670996
N-(3-bromo-2-methylphenyl)-2-methylthian-3-amine
CID 107629947
N,2-dimethyl-3-[(1-methylpiperidin-4-yl)amino]benzamide
CID 43734523
3-[(3-cyclopropylcyclohexyl)amino]-N,2-dimethylbenzamide
CID 64596426
3-[(4,4-dimethylcycloheptyl)amino]-N,2-dimethylbenzamide
CID 65083034
2-methyl-3-[(2-methylcyclopentyl)amino]benzoic acid
CID 65043898
2-methyl-N-(2-methylsulfonylphenyl)thian-3-amine
CID 79956934
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N'-[2-methyl-3-(methylcarbamoyl)phenyl]oxamide
CID 94193196
N-(2,3-difluorophenyl)-2-methylthian-3-amine
CID 79957761
N-(2-ethylsulfonylphenyl)-2-methylthian-3-amine
CID 79957215
3-(1-cyclopropylethylamino)-N,2-dimethylbenzamide
CID 43734592
3-[[2-(cyclopentanecarbonylamino)acetyl]amino]-N,2-dimethylbenzamide
CID 46434201

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-[(2-methylthian-3-yl)amino]benzamide?
The IUPAC name of N,2-dimethyl-3-[(2-methylthian-3-yl)amino]benzamide (CID 79957935) is N,2-dimethyl-3-[(2-methylthian-3-yl)amino]benzamide.
What is the SMILES notation for N,2-dimethyl-3-[(2-methylthian-3-yl)amino]benzamide?
The canonical SMILES for N,2-dimethyl-3-[(2-methylthian-3-yl)amino]benzamide is CNC(=O)c1cccc(NC2CCCSC2C)c1C.
What is the InChIKey of N,2-dimethyl-3-[(2-methylthian-3-yl)amino]benzamide?
The InChIKey is HKJIFAKQKOKACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-10-12(15(18)16-3)6-4-7-13(10)17-14-8-5-9-19-11(14)2/h4,6-7,11,14,17H,5,8-9H2,1-3H3,(H,16,18).
What are the key properties of N,2-dimethyl-3-[(2-methylthian-3-yl)amino]benzamide?
N,2-dimethyl-3-[(2-methylthian-3-yl)amino]benzamide has a molecular weight of 278.42 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[(2-methylthian-3-yl)amino]benzamide is sourced from PubChem (CID 79957935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).