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

C20H24N4O3S — CID 8814792

IUPACN-methyl-4-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2SC)cc1
InChIInChI=1S/C20H24N4O3S/c1-21-20(27)14-8-10-15(11-9-14)22-18(25)12-24(2)13-19(26)23-16-6-4-5-7-17(16)28-3/h4-11H,12-13H2,1-3H3,(H,21,27)(H,22,25)(H,23,26)
InChIKeyWNSVPOFCWULYJB-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.28
Rot. Bonds8

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

N-methyl-4-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]benzamide (PubChem CID 8814792) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-methyl-4-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]benzamide
PubChem CID8814792
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC NameN-methyl-4-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2SC)cc1
InChIInChI=1S/C20H24N4O3S/c1-21-20(27)14-8-10-15(11-9-14)22-18(25)12-24(2)13-19(26)23-16-6-4-5-7-17(16)28-3/h4-11H,12-13H2,1-3H3,(H,21,27)(H,22,25)(H,23,26)
InChIKeyWNSVPOFCWULYJB-UHFFFAOYSA-N
XLogP2.28
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 9105977
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 4806218
2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-phenylbenzamide
CID 2469957
N-(3-fluoro-4-methylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 40714282
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9049169
4-acetamido-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417009
4-[[2-(dimethylamino)acetyl]amino]-N-methylbenzamide
CID 54843994
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 9166245
N-(2-fluorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide;oxalic acid
CID 15945240
4-[[[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 37213846
4-(methylamino)-N-(2-methylsulfanylphenyl)benzamide
CID 107643040
N-(4-acetylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
CID 4879334

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]benzamide?
The IUPAC name of N-methyl-4-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]benzamide (CID 8814792) is N-methyl-4-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for N-methyl-4-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]benzamide?
The canonical SMILES for N-methyl-4-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]benzamide is CNC(=O)c1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2SC)cc1.
What is the InChIKey of N-methyl-4-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]benzamide?
The InChIKey is WNSVPOFCWULYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-21-20(27)14-8-10-15(11-9-14)22-18(25)12-24(2)13-19(26)23-16-6-4-5-7-17(16)28-3/h4-11H,12-13H2,1-3H3,(H,21,27)(H,22,25)(H,23,26).
What are the key properties of N-methyl-4-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]benzamide?
N-methyl-4-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]benzamide has a molecular weight of 400.50 g/mol, XLogP of 2.28, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 8814792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).