4-chloro-N-methyl-3-(thian-4-ylamino)benzamide

C13H17ClN2OS — CID 43721059

IUPAC4-chloro-N-methyl-3-(thian-4-ylamino)benzamide
SMILESCNC(=O)c1ccc(Cl)c(NC2CCSCC2)c1
InChIInChI=1S/C13H17ClN2OS/c1-15-13(17)9-2-3-11(14)12(8-9)16-10-4-6-18-7-5-10/h2-3,8,10,16H,4-7H2,1H3,(H,15,17)
InChIKeyKUQAXJKWSCXHNH-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.01
Rot. Bonds3

About 4-chloro-N-methyl-3-(thian-4-ylamino)benzamide

4-chloro-N-methyl-3-(thian-4-ylamino)benzamide (PubChem CID 43721059) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is 4-chloro-N-methyl-3-(thian-4-ylamino)benzamide.

Molecular Properties

Compound Name4-chloro-N-methyl-3-(thian-4-ylamino)benzamide
PubChem CID43721059
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC Name4-chloro-N-methyl-3-(thian-4-ylamino)benzamide
SMILESCNC(=O)c1ccc(Cl)c(NC2CCSCC2)c1
InChIInChI=1S/C13H17ClN2OS/c1-15-13(17)9-2-3-11(14)12(8-9)16-10-4-6-18-7-5-10/h2-3,8,10,16H,4-7H2,1H3,(H,15,17)
InChIKeyKUQAXJKWSCXHNH-UHFFFAOYSA-N
XLogP3.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-(thian-4-ylamino)benzamide
CID 43679588
4-chloro-3-(cyclopropylcarbamoylamino)-N-methylbenzamide
CID 47223819
N-methyl-4-(thian-4-ylamino)benzamide
CID 43683708
4-chloro-3-(1-cyclopropylethylamino)-N-methylbenzamide
CID 43721027
N-(2-chloro-5-methylsulfonylphenyl)thian-4-amine
CID 43682189
3-(cycloheptylamino)-N,4-dimethylbenzamide
CID 43726864
3-[(2-amino-2-cyclopropylpropanoyl)amino]-4-chloro-N-methylbenzamide
CID 60866296
4-chloro-3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N-methylbenzamide
CID 64864864
3-[(4-aminocyclohexyl)amino]-N,4-dimethylbenzamide
CID 79730916
3-bromo-4-chloro-N-(thian-4-yl)benzamide
CID 103841879
4-(cyclobutylamino)-3-fluoro-N-methylbenzamide
CID 174641609
4-chloro-3-[(2-cyclohexyloxyacetyl)amino]-N-methylbenzamide
CID 87004616

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-3-(thian-4-ylamino)benzamide?
The IUPAC name of 4-chloro-N-methyl-3-(thian-4-ylamino)benzamide (CID 43721059) is 4-chloro-N-methyl-3-(thian-4-ylamino)benzamide.
What is the SMILES notation for 4-chloro-N-methyl-3-(thian-4-ylamino)benzamide?
The canonical SMILES for 4-chloro-N-methyl-3-(thian-4-ylamino)benzamide is CNC(=O)c1ccc(Cl)c(NC2CCSCC2)c1.
What is the InChIKey of 4-chloro-N-methyl-3-(thian-4-ylamino)benzamide?
The InChIKey is KUQAXJKWSCXHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS/c1-15-13(17)9-2-3-11(14)12(8-9)16-10-4-6-18-7-5-10/h2-3,8,10,16H,4-7H2,1H3,(H,15,17).
What are the key properties of 4-chloro-N-methyl-3-(thian-4-ylamino)benzamide?
4-chloro-N-methyl-3-(thian-4-ylamino)benzamide has a molecular weight of 284.81 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-3-(thian-4-ylamino)benzamide is sourced from PubChem (CID 43721059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).