N-cyclopropyl-4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzamide

C18H20N4O2S — CID 39977118

IUPACN-cyclopropyl-4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ccc(C(=O)NC3CC3)cc2)n1
InChIInChI=1S/C18H20N4O2S/c1-11-9-12(2)20-18(19-11)25-10-16(23)21-14-5-3-13(4-6-14)17(24)22-15-7-8-15/h3-6,9,15H,7-8,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKTAHQBIJXUVKQS-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.72
Rot. Bonds6

About N-cyclopropyl-4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzamide

N-cyclopropyl-4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzamide (PubChem CID 39977118) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-cyclopropyl-4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzamide
PubChem CID39977118
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-cyclopropyl-4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ccc(C(=O)NC3CC3)cc2)n1
InChIInChI=1S/C18H20N4O2S/c1-11-9-12(2)20-18(19-11)25-10-16(23)21-14-5-3-13(4-6-14)17(24)22-15-7-8-15/h3-6,9,15H,7-8,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKTAHQBIJXUVKQS-UHFFFAOYSA-N
XLogP2.72
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 55531842
N-(3,4-dibromophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 3919820
N-cyclopropyl-4-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]benzamide
CID 24587152
N-cyclopropyl-4-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]benzamide
CID 55489180
N-(3-chloro-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 808918
N-(3-amino-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 62305813
2-[4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]-N-methylacetamide
CID 36544300
N-[4-(diethylamino)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 40604446
N-cyclopropyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide
CID 46584778
butyl 4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate
CID 3514032
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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzamide (CID 39977118) is N-cyclopropyl-4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzamide is Cc1cc(C)nc(SCC(=O)Nc2ccc(C(=O)NC3CC3)cc2)n1.
What is the InChIKey of N-cyclopropyl-4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzamide?
The InChIKey is KTAHQBIJXUVKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-11-9-12(2)20-18(19-11)25-10-16(23)21-14-5-3-13(4-6-14)17(24)22-15-7-8-15/h3-6,9,15H,7-8,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-cyclopropyl-4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzamide?
N-cyclopropyl-4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzamide has a molecular weight of 356.45 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 39977118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).