2-[2-[1-(4-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide

C21H26N2O3S — CID 55561669

IUPAC2-[2-[1-(4-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(C(C)N(C)C(=O)CSCC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-15-5-9-18(10-6-15)22-20(24)13-27-14-21(25)23(3)16(2)17-7-11-19(26-4)12-8-17/h5-12,16H,13-14H2,1-4H3,(H,22,24)
InChIKeyUXJDOEIXSNLCRC-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.89
Rot. Bonds8

About 2-[2-[1-(4-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide

2-[2-[1-(4-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide (PubChem CID 55561669) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-[2-[1-(4-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[1-(4-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
PubChem CID55561669
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name2-[2-[1-(4-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(C(C)N(C)C(=O)CSCC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-15-5-9-18(10-6-15)22-20(24)13-27-14-21(25)23(3)16(2)17-7-11-19(26-4)12-8-17/h5-12,16H,13-14H2,1-4H3,(H,22,24)
InChIKeyUXJDOEIXSNLCRC-UHFFFAOYSA-N
XLogP3.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 31306223
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 7746783
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 787659
2-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 55336071
2-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 55394981
N-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide
CID 27365283
3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide
CID 134054363
2-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]-propan-2-ylamino]acetic acid
CID 119198184
2-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9183230
2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 66225221
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 119704697
ethyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetate
CID 4219982

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-[1-(4-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide (CID 55561669) is 2-[2-[1-(4-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[1-(4-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[1-(4-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide is COc1ccc(C(C)N(C)C(=O)CSCC(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 2-[2-[1-(4-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide?
The InChIKey is UXJDOEIXSNLCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-15-5-9-18(10-6-15)22-20(24)13-27-14-21(25)23(3)16(2)17-7-11-19(26-4)12-8-17/h5-12,16H,13-14H2,1-4H3,(H,22,24).
What are the key properties of 2-[2-[1-(4-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide?
2-[2-[1-(4-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide has a molecular weight of 386.52 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(4-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 55561669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).