N-(3-methylphenyl)-2-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide

C18H21N3O2S — CID 86932695

IUPACN-(3-methylphenyl)-2-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide
SMILESCc1cccc(NC(=O)CSCC(=O)N(C)Cc2cccnc2)c1
InChIInChI=1S/C18H21N3O2S/c1-14-5-3-7-16(9-14)20-17(22)12-24-13-18(23)21(2)11-15-6-4-8-19-10-15/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyKONIFTWDOOQFST-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.72
Rot. Bonds7

About N-(3-methylphenyl)-2-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide

N-(3-methylphenyl)-2-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide (PubChem CID 86932695) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide
PubChem CID86932695
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(3-methylphenyl)-2-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide
SMILESCc1cccc(NC(=O)CSCC(=O)N(C)Cc2cccnc2)c1
InChIInChI=1S/C18H21N3O2S/c1-14-5-3-7-16(9-14)20-17(22)12-24-13-18(23)21(2)11-15-6-4-8-19-10-15/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyKONIFTWDOOQFST-UHFFFAOYSA-N
XLogP2.72
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 31215204
1-methyl-3-(3-methylphenyl)-1-(pyridin-3-ylmethyl)thiourea
CID 8683425
2-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 30099663
2-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 32760596
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 38585805
2-[2-[(6-methoxy-3-pyridinyl)-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 47081192
2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 9095730
2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 967041
methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate
CID 115174424
N-(3-methylphenyl)-2-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]sulfanylacetamide
CID 43007777
N-methyl-5-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)pentanamide
CID 47488024
N-methyl-3-[(3-methylphenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide
CID 167975827

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(3-methylphenyl)-2-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide (CID 86932695) is N-(3-methylphenyl)-2-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide is Cc1cccc(NC(=O)CSCC(=O)N(C)Cc2cccnc2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is KONIFTWDOOQFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-14-5-3-7-16(9-14)20-17(22)12-24-13-18(23)21(2)11-15-6-4-8-19-10-15/h3-10H,11-13H2,1-2H3,(H,20,22).
What are the key properties of N-(3-methylphenyl)-2-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide?
N-(3-methylphenyl)-2-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 343.45 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 86932695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).