2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide

C17H26N4O3S — CID 9105085

IUPAC2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)CC(=O)NC(=O)NCC(C)C
InChIInChI=1S/C17H26N4O3S/c1-12(2)9-18-17(24)20-16(23)11-21(3)10-15(22)19-13-7-5-6-8-14(13)25-4/h5-8,12H,9-11H2,1-4H3,(H,19,22)(H2,18,20,23,24)
InChIKeyHAEIREXGUNDHSH-UHFFFAOYSA-N
MW366.49 g/mol
LogP1.76
Rot. Bonds8

About 2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide

2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 9105085) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID9105085
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Name2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)CC(=O)NC(=O)NCC(C)C
InChIInChI=1S/C17H26N4O3S/c1-12(2)9-18-17(24)20-16(23)11-21(3)10-15(22)19-13-7-5-6-8-14(13)25-4/h5-8,12H,9-11H2,1-4H3,(H,19,22)(H2,18,20,23,24)
InChIKeyHAEIREXGUNDHSH-UHFFFAOYSA-N
XLogP1.76
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9036505
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9049169
2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 8588228
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9166530
N-(2-fluorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide;oxalic acid
CID 15945240
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 4806218
2-[methyl(2-methylsulfonylethyl)amino]-N-(2-methylsulfanylphenyl)acetamide
CID 47104704
2-[cyanomethyl(methyl)amino]-N-(2-methylsulfanylphenyl)acetamide
CID 38214269
2-[[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 9105247
N-(4-acetylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 9105977
methyl 2-methyl-3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanoate
CID 60704243
2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 8814918

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide (CID 9105085) is 2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CN(C)CC(=O)NC(=O)NCC(C)C.
What is the InChIKey of 2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is HAEIREXGUNDHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-12(2)9-18-17(24)20-16(23)11-21(3)10-15(22)19-13-7-5-6-8-14(13)25-4/h5-8,12H,9-11H2,1-4H3,(H,19,22)(H2,18,20,23,24).
What are the key properties of 2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide?
2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 366.49 g/mol, XLogP of 1.76, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 9105085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).