propan-2-yl 2-[[3-[(2-methoxyphenyl)carbamoyl]-4,6-dimethyl-2-pyridinyl]sulfanyl]acetate

C20H24N2O4S — CID 23609877

IUPACpropan-2-yl 2-[[3-[(2-methoxyphenyl)carbamoyl]-4,6-dimethyl-2-pyridinyl]sulfanyl]acetate
SMILESCOc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)OC(C)C
InChIInChI=1S/C20H24N2O4S/c1-12(2)26-17(23)11-27-20-18(13(3)10-14(4)21-20)19(24)22-15-8-6-7-9-16(15)25-5/h6-10,12H,11H2,1-5H3,(H,22,24)
InChIKeyACVWMQATJUOTBK-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.00
Rot. Bonds7

About propan-2-yl 2-[[3-[(2-methoxyphenyl)carbamoyl]-4,6-dimethyl-2-pyridinyl]sulfanyl]acetate

propan-2-yl 2-[[3-[(2-methoxyphenyl)carbamoyl]-4,6-dimethyl-2-pyridinyl]sulfanyl]acetate (PubChem CID 23609877) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is propan-2-yl 2-[[3-[(2-methoxyphenyl)carbamoyl]-4,6-dimethyl-2-pyridinyl]sulfanyl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[3-[(2-methoxyphenyl)carbamoyl]-4,6-dimethyl-2-pyridinyl]sulfanyl]acetate
PubChem CID23609877
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Namepropan-2-yl 2-[[3-[(2-methoxyphenyl)carbamoyl]-4,6-dimethyl-2-pyridinyl]sulfanyl]acetate
SMILESCOc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)OC(C)C
InChIInChI=1S/C20H24N2O4S/c1-12(2)26-17(23)11-27-20-18(13(3)10-14(4)21-20)19(24)22-15-8-6-7-9-16(15)25-5/h6-10,12H,11H2,1-5H3,(H,22,24)
InChIKeyACVWMQATJUOTBK-UHFFFAOYSA-N
XLogP4.00
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 2-[[3-[(2-methoxyphenyl)carbamoyl]-4,6-dimethyl-2-pyridinyl]sulfanyl]acetate with MolForge

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Related Compounds

2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-phenylpyridine-3-carboxamide
CID 23609729
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23609825
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate
CID 42897910
N-(2-ethoxyphenyl)-4,6-dimethyl-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide
CID 23609909
2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)-4,6-dimethylpyridine-3-carboxamide
CID 23609915
2-benzyl-N-(2-methoxyphenyl)-6-methyl-4-propan-2-ylpyridine-3-carboxamide
CID 139650570
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-naphthalen-2-ylsulfanylacetate
CID 7795730
2-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23609826
propan-2-yl N-(2-methoxyphenyl)carbamate
CID 5047637
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carboxamide
CID 31775871
N-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329140
[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate
CID 46618680

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[3-[(2-methoxyphenyl)carbamoyl]-4,6-dimethyl-2-pyridinyl]sulfanyl]acetate?
The IUPAC name of propan-2-yl 2-[[3-[(2-methoxyphenyl)carbamoyl]-4,6-dimethyl-2-pyridinyl]sulfanyl]acetate (CID 23609877) is propan-2-yl 2-[[3-[(2-methoxyphenyl)carbamoyl]-4,6-dimethyl-2-pyridinyl]sulfanyl]acetate.
What is the SMILES notation for propan-2-yl 2-[[3-[(2-methoxyphenyl)carbamoyl]-4,6-dimethyl-2-pyridinyl]sulfanyl]acetate?
The canonical SMILES for propan-2-yl 2-[[3-[(2-methoxyphenyl)carbamoyl]-4,6-dimethyl-2-pyridinyl]sulfanyl]acetate is COc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[[3-[(2-methoxyphenyl)carbamoyl]-4,6-dimethyl-2-pyridinyl]sulfanyl]acetate?
The InChIKey is ACVWMQATJUOTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-12(2)26-17(23)11-27-20-18(13(3)10-14(4)21-20)19(24)22-15-8-6-7-9-16(15)25-5/h6-10,12H,11H2,1-5H3,(H,22,24).
What are the key properties of propan-2-yl 2-[[3-[(2-methoxyphenyl)carbamoyl]-4,6-dimethyl-2-pyridinyl]sulfanyl]acetate?
propan-2-yl 2-[[3-[(2-methoxyphenyl)carbamoyl]-4,6-dimethyl-2-pyridinyl]sulfanyl]acetate has a molecular weight of 388.49 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[3-[(2-methoxyphenyl)carbamoyl]-4,6-dimethyl-2-pyridinyl]sulfanyl]acetate is sourced from PubChem (CID 23609877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).