N-[3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide

C20H23N3O3S — CID 9417092

IUPACN-[3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C20H23N3O3S/c1-23(14-18(24)22-16-10-6-7-11-17(16)27-2)19(25)12-13-21-20(26)15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,21,26)(H,22,24)
InChIKeyPCFPFKZRHPJWLT-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.63
Rot. Bonds8

About N-[3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide

N-[3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide (PubChem CID 9417092) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
PubChem CID9417092
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C20H23N3O3S/c1-23(14-18(24)22-16-10-6-7-11-17(16)27-2)19(25)12-13-21-20(26)15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,21,26)(H,22,24)
InChIKeyPCFPFKZRHPJWLT-UHFFFAOYSA-N
XLogP2.63
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 9416977
3-methyl-N-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 9416961
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-phenoxybutanamide
CID 38764417
N-methyl-3-(4-methylphenyl)-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
CID 38768176
2-[[2-[benzyl(methyl)amino]acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 51223505
(3S)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-phenylbutanamide
CID 38762946
N,3,4-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417071
N-(2-fluorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide;oxalic acid
CID 15945240
N-[3-oxo-3-(2-phenylsulfanylanilino)propyl]benzamide
CID 17154606
3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417026
4-acetamido-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417009
N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide
CID 38676277

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide (CID 9417092) is N-[3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide is CSc1ccccc1NC(=O)CN(C)C(=O)CCNC(=O)c1ccccc1.
What is the InChIKey of N-[3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide?
The InChIKey is PCFPFKZRHPJWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-23(14-18(24)22-16-10-6-7-11-17(16)27-2)19(25)12-13-21-20(26)15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,21,26)(H,22,24).
What are the key properties of N-[3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide?
N-[3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide has a molecular weight of 385.49 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 9417092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).