2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carboxamide

C18H21N3O3S — CID 31775871

IUPAC2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carboxamide
SMILESCOc1ccccc1NC(=O)CSc1nc(C)c(C)c(C)c1C(N)=O
InChIInChI=1S/C18H21N3O3S/c1-10-11(2)16(17(19)23)18(20-12(10)3)25-9-15(22)21-13-7-5-6-8-14(13)24-4/h5-8H,9H2,1-4H3,(H2,19,23)(H,21,22)
InChIKeyRXTHGELZEYDIQN-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.85
Rot. Bonds6

About 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carboxamide

2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carboxamide (PubChem CID 31775871) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carboxamide
PubChem CID31775871
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carboxamide
SMILESCOc1ccccc1NC(=O)CSc1nc(C)c(C)c(C)c1C(N)=O
InChIInChI=1S/C18H21N3O3S/c1-10-11(2)16(17(19)23)18(20-12(10)3)25-9-15(22)21-13-7-5-6-8-14(13)24-4/h5-8H,9H2,1-4H3,(H2,19,23)(H,21,22)
InChIKeyRXTHGELZEYDIQN-UHFFFAOYSA-N
XLogP2.85
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3-carbamoyl-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetate
CID 2108154
methyl 4-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate
CID 38839354
2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 23007657
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-phenylpyridine-3-carboxamide
CID 23609729
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 1251511
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23609825
N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
CID 46357608
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2661368
2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 7673580
N-[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]butanamide
CID 1462660
2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 1440726

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carboxamide?
The IUPAC name of 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carboxamide (CID 31775871) is 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carboxamide is COc1ccccc1NC(=O)CSc1nc(C)c(C)c(C)c1C(N)=O.
What is the InChIKey of 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carboxamide?
The InChIKey is RXTHGELZEYDIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-10-11(2)16(17(19)23)18(20-12(10)3)25-9-15(22)21-13-7-5-6-8-14(13)24-4/h5-8H,9H2,1-4H3,(H2,19,23)(H,21,22).
What are the key properties of 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carboxamide?
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carboxamide is sourced from PubChem (CID 31775871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).