2-[2-[(6-methoxy-3-pyridinyl)-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide

C18H21N3O3S — CID 47081192

IUPAC2-[2-[(6-methoxy-3-pyridinyl)-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
SMILESCOc1ccc(N(C)C(=O)CSCC(=O)Nc2cccc(C)c2)cn1
InChIInChI=1S/C18H21N3O3S/c1-13-5-4-6-14(9-13)20-16(22)11-25-12-18(23)21(2)15-7-8-17(24-3)19-10-15/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyFACQLBOCZZBWCG-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.73
Rot. Bonds7

About 2-[2-[(6-methoxy-3-pyridinyl)-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide

2-[2-[(6-methoxy-3-pyridinyl)-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide (PubChem CID 47081192) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-[2-[(6-methoxy-3-pyridinyl)-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(6-methoxy-3-pyridinyl)-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
PubChem CID47081192
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name2-[2-[(6-methoxy-3-pyridinyl)-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
SMILESCOc1ccc(N(C)C(=O)CSCC(=O)Nc2cccc(C)c2)cn1
InChIInChI=1S/C18H21N3O3S/c1-13-5-4-6-14(9-13)20-16(22)11-25-12-18(23)21(2)15-7-8-17(24-3)19-10-15/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyFACQLBOCZZBWCG-UHFFFAOYSA-N
XLogP2.73
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(6-methoxy-3-pyridinyl)-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 967041
N-(3-methylphenyl)-2-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide
CID 86932695
2-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 32760596
2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 9095730
2-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 30099663
2-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 31215204
N-[(4-methoxyphenyl)methyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 7973630
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 43011556
methyl 3-[[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]-(2-methylpropyl)amino]propanoate
CID 55820482
2-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 7979806
2-[2-(2-hydroxyanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 51284419
2-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-N-(3-methylphenyl)acetamide
CID 8970699

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-methoxy-3-pyridinyl)-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-[(6-methoxy-3-pyridinyl)-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide (CID 47081192) is 2-[2-[(6-methoxy-3-pyridinyl)-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(6-methoxy-3-pyridinyl)-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[(6-methoxy-3-pyridinyl)-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide is COc1ccc(N(C)C(=O)CSCC(=O)Nc2cccc(C)c2)cn1.
What is the InChIKey of 2-[2-[(6-methoxy-3-pyridinyl)-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
The InChIKey is FACQLBOCZZBWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-13-5-4-6-14(9-13)20-16(22)11-25-12-18(23)21(2)15-7-8-17(24-3)19-10-15/h4-10H,11-12H2,1-3H3,(H,20,22).
What are the key properties of 2-[2-[(6-methoxy-3-pyridinyl)-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
2-[2-[(6-methoxy-3-pyridinyl)-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide has a molecular weight of 359.45 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-methoxy-3-pyridinyl)-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 47081192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).