2-chloro-5-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide

C16H17ClN4O2S — CID 55835896

IUPAC2-chloro-5-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(=O)CSc2nc(C)cc(C)n2)ccc1Cl
InChIInChI=1S/C16H17ClN4O2S/c1-9-6-10(2)20-16(19-9)24-8-14(22)21-11-4-5-13(17)12(7-11)15(23)18-3/h4-7H,8H2,1-3H3,(H,18,23)(H,21,22)
InChIKeyUYEHOJHITCONEQ-UHFFFAOYSA-N
MW364.86 g/mol
LogP2.84
Rot. Bonds5

About 2-chloro-5-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide

2-chloro-5-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide (PubChem CID 55835896) has the molecular formula C16H17ClN4O2S and a molecular weight of 364.86 g/mol. Its IUPAC name is 2-chloro-5-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide
PubChem CID55835896
Molecular FormulaC16H17ClN4O2S
Molecular Weight364.86 g/mol
Exact Mass364.08
IUPAC Name2-chloro-5-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(=O)CSc2nc(C)cc(C)n2)ccc1Cl
InChIInChI=1S/C16H17ClN4O2S/c1-9-6-10(2)20-16(19-9)24-8-14(22)21-11-4-5-13(17)12(7-11)15(23)18-3/h4-7H,8H2,1-3H3,(H,18,23)(H,21,22)
InChIKeyUYEHOJHITCONEQ-UHFFFAOYSA-N
XLogP2.84
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.86
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 808918
N-(3,4-dibromophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 3919820
2-[[4,6-bis[[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 110184146
2-[4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]-N-methylacetamide
CID 36544300
4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-2-hydroxybenzoic acid
CID 175088240
N-(2,5-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 2237735
N-(3-amino-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 62305813
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 701583
2-chloro-N-methyl-5-(3-oxobutanoylamino)benzamide
CID 54867174
N-(2,3-dihydro-1H-inden-5-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 38651828
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1H-indol-6-yl)acetamide
CID 19058761
N-[4-(diethylamino)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 40604446

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide?
The IUPAC name of 2-chloro-5-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide (CID 55835896) is 2-chloro-5-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-5-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-chloro-5-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide is CNC(=O)c1cc(NC(=O)CSc2nc(C)cc(C)n2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide?
The InChIKey is UYEHOJHITCONEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2S/c1-9-6-10(2)20-16(19-9)24-8-14(22)21-11-4-5-13(17)12(7-11)15(23)18-3/h4-7H,8H2,1-3H3,(H,18,23)(H,21,22).
What are the key properties of 2-chloro-5-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide?
2-chloro-5-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide has a molecular weight of 364.86 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 55835896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).