4-acetamido-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide

C19H21N3O3S — CID 9417009

IUPAC4-acetamido-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H21N3O3S/c1-13(23)20-15-10-8-14(9-11-15)19(25)22(2)12-18(24)21-16-6-4-5-7-17(16)26-3/h4-11H,12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyYHGKTAHEGZDHHR-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.08
Rot. Bonds6

About 4-acetamido-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide

4-acetamido-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide (PubChem CID 9417009) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 4-acetamido-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
PubChem CID9417009
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name4-acetamido-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H21N3O3S/c1-13(23)20-15-10-8-14(9-11-15)19(25)22(2)12-18(24)21-16-6-4-5-7-17(16)26-3/h4-11H,12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyYHGKTAHEGZDHHR-UHFFFAOYSA-N
XLogP3.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,3,4-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417071
N-(4-acetylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 9105977
3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417026
N-methyl-4-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 8814792
N-(4-acetylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
CID 4879334
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 38768902
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 4806218
N,2,5-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38764735
2,4-difluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 2568683
N,2,4,5-tetramethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]furan-3-carboxamide
CID 38769399
3-[(2-fluorobenzoyl)amino]-N,4-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 55688009
N,2,5-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]furan-3-carboxamide
CID 38765472

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-acetamido-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide (CID 9417009) is 4-acetamido-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-acetamido-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-acetamido-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide is CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of 4-acetamido-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide?
The InChIKey is YHGKTAHEGZDHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-13(23)20-15-10-8-14(9-11-15)19(25)22(2)12-18(24)21-16-6-4-5-7-17(16)26-3/h4-11H,12H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 4-acetamido-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide?
4-acetamido-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide has a molecular weight of 371.46 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 9417009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).