N-[(3-methoxyphenyl)methyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide

C19H22N2O3S — CID 24979388

IUPACN-[(3-methoxyphenyl)methyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide
SMILESCOc1cccc(CNC(=O)CSCC(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C19H22N2O3S/c1-14-6-8-16(9-7-14)21-19(23)13-25-12-18(22)20-11-15-4-3-5-17(10-15)24-2/h3-10H,11-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyMCNVHUWEAWKBGY-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.99
Rot. Bonds8

About N-[(3-methoxyphenyl)methyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide

N-[(3-methoxyphenyl)methyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide (PubChem CID 24979388) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide
PubChem CID24979388
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide
SMILESCOc1cccc(CNC(=O)CSCC(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C19H22N2O3S/c1-14-6-8-16(9-7-14)21-19(23)13-25-12-18(22)20-11-15-4-3-5-17(10-15)24-2/h3-10H,11-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyMCNVHUWEAWKBGY-UHFFFAOYSA-N
XLogP2.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-Methoxy-benzyl)-phenyl]-butyramide
CID 44264818
2-[(2-anilino-2-oxoethyl)sulfanyl]-N-(4-methoxybenzyl)acetamide
CID 578565
2-(4-Fluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 4519035
N-(2-Hydroxy-6-methoxy-quinolin-3-ylmethyl)-N-p-tolyl-propionamide
CID 1091906
2-(4-Methoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 2840254
2-(benzylthio)-N-(4-methoxyphenyl)propanamide
CID 2889957
2-(benzylthio)-N-(3-methoxyphenyl)propanamide
CID 2890397
3-[(2-fluorobenzyl)thio]-N-(3-methoxybenzyl)propanamide
CID 5053730
6-methoxy-3-[(4-methoxyanilino)methyl]-1H-quinolin-2-one
CID 664029
6-Methoxy-3-phenylaminomethyl-quinolin-2-ol
CID 942126
3-Benzyl-5-(4-ethoxyanilino)-1,3-thiazolidine-2,4-dione
CID 3145414
4-{[2-(Benzylthio)acetyl]amino}phenyl propionate
CID 891549

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide (CID 24979388) is N-[(3-methoxyphenyl)methyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide is COc1cccc(CNC(=O)CSCC(=O)Nc2ccc(C)cc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is MCNVHUWEAWKBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-14-6-8-16(9-7-14)21-19(23)13-25-12-18(22)20-11-15-4-3-5-17(10-15)24-2/h3-10H,11-13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide?
N-[(3-methoxyphenyl)methyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 358.46 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 24979388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).