2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide

C23H31N3O2S — CID 8814918

IUPAC2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
SMILESCSc1ccccc1NC(=O)CN(C)CC(=O)NCCc1ccc(C(C)C)cc1
InChIInChI=1S/C23H31N3O2S/c1-17(2)19-11-9-18(10-12-19)13-14-24-22(27)15-26(3)16-23(28)25-20-7-5-6-8-21(20)29-4/h5-12,17H,13-16H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyHXVPVMMOSKKFTE-UHFFFAOYSA-N
MW413.59 g/mol
LogP3.76
Rot. Bonds10

About 2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide

2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide (PubChem CID 8814918) has the molecular formula C23H31N3O2S and a molecular weight of 413.59 g/mol. Its IUPAC name is 2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
PubChem CID8814918
Molecular FormulaC23H31N3O2S
Molecular Weight413.59 g/mol
Exact Mass413.21
IUPAC Name2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
SMILESCSc1ccccc1NC(=O)CN(C)CC(=O)NCCc1ccc(C(C)C)cc1
InChIInChI=1S/C23H31N3O2S/c1-17(2)19-11-9-18(10-12-19)13-14-24-22(27)15-26(3)16-23(28)25-20-7-5-6-8-21(20)29-4/h5-12,17H,13-16H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyHXVPVMMOSKKFTE-UHFFFAOYSA-N
XLogP3.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.59
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide
CID 9028707
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 9037832
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9049169
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 2698816
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 4806218
2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9105085
2-[[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 9105247
N-(2-methylphenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028527
N-(2-fluorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide;oxalic acid
CID 15945240
2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 38211944
2-[cyanomethyl(methyl)amino]-N-(2-methylsulfanylphenyl)acetamide
CID 38214269
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 27222681

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide (CID 8814918) is 2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide is CSc1ccccc1NC(=O)CN(C)CC(=O)NCCc1ccc(C(C)C)cc1.
What is the InChIKey of 2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The InChIKey is HXVPVMMOSKKFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2S/c1-17(2)19-11-9-18(10-12-19)13-14-24-22(27)15-26(3)16-23(28)25-20-7-5-6-8-21(20)29-4/h5-12,17H,13-16H2,1-4H3,(H,24,27)(H,25,28).
What are the key properties of 2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide has a molecular weight of 413.59 g/mol, XLogP of 3.76, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 8814918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).