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

C14H20N2OS — CID 102670996

IUPACN,2-dimethyl-3-[(2-methylthiolan-3-yl)amino]benzamide
SMILESCNC(=O)c1cccc(NC2CCSC2C)c1C
InChIInChI=1S/C14H20N2OS/c1-9-11(14(17)15-3)5-4-6-12(9)16-13-7-8-18-10(13)2/h4-6,10,13,16H,7-8H2,1-3H3,(H,15,17)
InChIKeyMCXLTZBBJQLZBX-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.66
Rot. Bonds3

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

N,2-dimethyl-3-[(2-methylthiolan-3-yl)amino]benzamide (PubChem CID 102670996) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N,2-dimethyl-3-[(2-methylthiolan-3-yl)amino]benzamide.

Molecular Properties

Compound NameN,2-dimethyl-3-[(2-methylthiolan-3-yl)amino]benzamide
PubChem CID102670996
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN,2-dimethyl-3-[(2-methylthiolan-3-yl)amino]benzamide
SMILESCNC(=O)c1cccc(NC2CCSC2C)c1C
InChIInChI=1S/C14H20N2OS/c1-9-11(14(17)15-3)5-4-6-12(9)16-13-7-8-18-10(13)2/h4-6,10,13,16H,7-8H2,1-3H3,(H,15,17)
InChIKeyMCXLTZBBJQLZBX-UHFFFAOYSA-N
XLogP2.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-3-[(2-methylthian-3-yl)amino]benzamide
CID 79957935
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
3-(1-cyclopropylethylamino)-N,2-dimethylbenzamide
CID 43734592
3-[(3-ethoxycyclobutyl)amino]-N,2-dimethylbenzamide
CID 112561851
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N'-[2-methyl-3-(methylcarbamoyl)phenyl]oxamide
CID 94193196
2-methyl-3-[(2-methylcyclopentyl)amino]benzoic acid
CID 65043898
3-[[2-(cyclopentanecarbonylamino)acetyl]amino]-N,2-dimethylbenzamide
CID 46434201
3-(1-cyclopropylpropylamino)-N,2-dimethylbenzamide
CID 64918620
3-[(4-aminocyclohexanecarbonyl)amino]-N,2-dimethylbenzamide
CID 60851927
N-[2-methyl-3-(methylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 131905924

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-[(2-methylthiolan-3-yl)amino]benzamide?
The IUPAC name of N,2-dimethyl-3-[(2-methylthiolan-3-yl)amino]benzamide (CID 102670996) is N,2-dimethyl-3-[(2-methylthiolan-3-yl)amino]benzamide.
What is the SMILES notation for N,2-dimethyl-3-[(2-methylthiolan-3-yl)amino]benzamide?
The canonical SMILES for N,2-dimethyl-3-[(2-methylthiolan-3-yl)amino]benzamide is CNC(=O)c1cccc(NC2CCSC2C)c1C.
What is the InChIKey of N,2-dimethyl-3-[(2-methylthiolan-3-yl)amino]benzamide?
The InChIKey is MCXLTZBBJQLZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-9-11(14(17)15-3)5-4-6-12(9)16-13-7-8-18-10(13)2/h4-6,10,13,16H,7-8H2,1-3H3,(H,15,17).
What are the key properties of N,2-dimethyl-3-[(2-methylthiolan-3-yl)amino]benzamide?
N,2-dimethyl-3-[(2-methylthiolan-3-yl)amino]benzamide has a molecular weight of 264.39 g/mol, XLogP of 2.66, 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-methylthiolan-3-yl)amino]benzamide is sourced from PubChem (CID 102670996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).