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

C21H25N3O3S — CID 4879334

IUPACN-(4-acetylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
SMILESCSc1ccccc1NC(=O)CN(C)C(C)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C21H25N3O3S/c1-14(21(27)22-17-11-9-16(10-12-17)15(2)25)24(3)13-20(26)23-18-7-5-6-8-19(18)28-4/h5-12,14H,13H2,1-4H3,(H,22,27)(H,23,26)
InChIKeyDAMPJCDZOQXGGT-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.51
Rot. Bonds8

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

N-(4-acetylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide (PubChem CID 4879334) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
PubChem CID4879334
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-(4-acetylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
SMILESCSc1ccccc1NC(=O)CN(C)C(C)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C21H25N3O3S/c1-14(21(27)22-17-11-9-16(10-12-17)15(2)25)24(3)13-20(26)23-18-7-5-6-8-19(18)28-4/h5-12,14H,13H2,1-4H3,(H,22,27)(H,23,26)
InChIKeyDAMPJCDZOQXGGT-UHFFFAOYSA-N
XLogP3.51
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 9105977
(2R)-N-ethyl-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
CID 8814350
(2R)-N-(2-methoxyphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
CID 7986544
(2R)-N-(4-acetamidophenyl)-2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]propanamide
CID 2555298
(2R)-N-(methylcarbamoyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
CID 9105046
2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 78676271
4-acetamido-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417009
(2R)-N-(3-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 9037867
methyl 4-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanoylamino]methyl]benzoate
CID 46561757
2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 46561779
(2S)-N-(4-acetylphenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]propanamide
CID 31390162
(2S)-N-(3-acetylphenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 9286593

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide?
The IUPAC name of N-(4-acetylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide (CID 4879334) is N-(4-acetylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide is CSc1ccccc1NC(=O)CN(C)C(C)C(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide?
The InChIKey is DAMPJCDZOQXGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-14(21(27)22-17-11-9-16(10-12-17)15(2)25)24(3)13-20(26)23-18-7-5-6-8-19(18)28-4/h5-12,14H,13H2,1-4H3,(H,22,27)(H,23,26).
What are the key properties of N-(4-acetylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide?
N-(4-acetylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide has a molecular weight of 399.52 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 4879334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).