N-(4-cyanophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide

C20H22N4O2S — CID 4879595

IUPACN-(4-cyanophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
SMILESCSc1ccccc1NC(=O)CN(C)C(C)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C20H22N4O2S/c1-14(20(26)22-16-10-8-15(12-21)9-11-16)24(2)13-19(25)23-17-6-4-5-7-18(17)27-3/h4-11,14H,13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyTXJBBDSTEPUFRW-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.18
Rot. Bonds7

About N-(4-cyanophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide

N-(4-cyanophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide (PubChem CID 4879595) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
PubChem CID4879595
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-(4-cyanophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
SMILESCSc1ccccc1NC(=O)CN(C)C(C)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C20H22N4O2S/c1-14(20(26)22-16-10-8-15(12-21)9-11-16)24(2)13-19(25)23-17-6-4-5-7-18(17)27-3/h4-11,14H,13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyTXJBBDSTEPUFRW-UHFFFAOYSA-N
XLogP3.18
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Cinanserin
CID 5475158
N-(4-cyanophenyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 4879932
N-(2-methylphenyl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
CID 954269
2-[[2-(2-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2462073
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methylphenyl)acetamide
CID 2574382
N-benzyl-2-(3-methylsulfanylanilino)propanamide
CID 4882997
N-(4-cyanophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 16327913
N-[2-[3-(dimethylamino)propylthio]phenyl]-3-phenyl-2-propenamide
CID 5913
2-(4-acetamidophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide
CID 2086771
N~2~-benzyl-N~2~-(methylsulfonyl)-N~1~-[2-(methylthio)phenyl]glycinamide
CID 2202721
N-benzyl-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 2449013
N-(2-butan-2-ylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 4562513

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide?
The IUPAC name of N-(4-cyanophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide (CID 4879595) is N-(4-cyanophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide is CSc1ccccc1NC(=O)CN(C)C(C)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide?
The InChIKey is TXJBBDSTEPUFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-14(20(26)22-16-10-8-15(12-21)9-11-16)24(2)13-19(25)23-17-6-4-5-7-18(17)27-3/h4-11,14H,13H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of N-(4-cyanophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide?
N-(4-cyanophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide has a molecular weight of 382.49 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 4879595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).