N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-propoxypyrimidin-2-yl)sulfanylacetamide

C17H19F2N3O3S — CID 3461193

IUPACN-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-propoxypyrimidin-2-yl)sulfanylacetamide
SMILESCCCOc1ccnc(SCC(=O)Nc2ccc(OC(F)F)cc2C)n1
InChIInChI=1S/C17H19F2N3O3S/c1-3-8-24-15-6-7-20-17(22-15)26-10-14(23)21-13-5-4-12(9-11(13)2)25-16(18)19/h4-7,9,16H,3,8,10H2,1-2H3,(H,21,23)
InChIKeyCBOVZMWPYOPVMS-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.91
Rot. Bonds9

About N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-propoxypyrimidin-2-yl)sulfanylacetamide

N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-propoxypyrimidin-2-yl)sulfanylacetamide (PubChem CID 3461193) has the molecular formula C17H19F2N3O3S and a molecular weight of 383.42 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-propoxypyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-propoxypyrimidin-2-yl)sulfanylacetamide
PubChem CID3461193
Molecular FormulaC17H19F2N3O3S
Molecular Weight383.42 g/mol
Exact Mass383.11
IUPAC NameN-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-propoxypyrimidin-2-yl)sulfanylacetamide
SMILESCCCOc1ccnc(SCC(=O)Nc2ccc(OC(F)F)cc2C)n1
InChIInChI=1S/C17H19F2N3O3S/c1-3-8-24-15-6-7-20-17(22-15)26-10-14(23)21-13-5-4-12(9-11(13)2)25-16(18)19/h4-7,9,16H,3,8,10H2,1-2H3,(H,21,23)
InChIKeyCBOVZMWPYOPVMS-UHFFFAOYSA-N
XLogP3.91
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylacetamide
CID 17023151
N-(4-methoxy-2-nitrophenyl)-2-(4-propoxypyrimidin-2-yl)sulfanylacetamide
CID 19581182
2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 17023330
N-[4-(difluoromethoxy)-2-methylphenyl]-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
CID 19516634
N-(2,5-diethoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
CID 863167
(2-methyl-4-propoxyphenyl)carbamic acid
CID 118108315
2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-phenylacetamide
CID 19583218
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-propoxyphenyl)butanamide
CID 55953751
4-amino-N-(2-methyl-4-propoxyphenyl)pentanamide
CID 120560885
3-amino-N-(2-methyl-4-propoxyphenyl)butanamide;hydrochloride
CID 119739467
N-[4-(difluoromethoxy)-2-methylphenyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19530598
N-[4-(difluoromethoxy)-2-methylphenyl]-2-methylpyrazole-3-carboxamide
CID 19475661

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-propoxypyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-propoxypyrimidin-2-yl)sulfanylacetamide (CID 3461193) is N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-propoxypyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-propoxypyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-propoxypyrimidin-2-yl)sulfanylacetamide is CCCOc1ccnc(SCC(=O)Nc2ccc(OC(F)F)cc2C)n1.
What is the InChIKey of N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-propoxypyrimidin-2-yl)sulfanylacetamide?
The InChIKey is CBOVZMWPYOPVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O3S/c1-3-8-24-15-6-7-20-17(22-15)26-10-14(23)21-13-5-4-12(9-11(13)2)25-16(18)19/h4-7,9,16H,3,8,10H2,1-2H3,(H,21,23).
What are the key properties of N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-propoxypyrimidin-2-yl)sulfanylacetamide?
N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-propoxypyrimidin-2-yl)sulfanylacetamide has a molecular weight of 383.42 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-propoxypyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 3461193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).