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

C25H26N4O3S — CID 2469957

IUPAC2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-phenylbenzamide
SMILESCSc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C25H26N4O3S/c1-29(17-24(31)28-21-14-8-9-15-22(21)33-2)16-23(30)27-20-13-7-6-12-19(20)25(32)26-18-10-4-3-5-11-18/h3-15H,16-17H2,1-2H3,(H,26,32)(H,27,30)(H,28,31)
InChIKeyDLVHBMTZPWVICW-UHFFFAOYSA-N
MW462.58 g/mol
LogP4.17
Rot. Bonds9

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

2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-phenylbenzamide (PubChem CID 2469957) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is 2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-phenylbenzamide
PubChem CID2469957
Molecular FormulaC25H26N4O3S
Molecular Weight462.58 g/mol
Exact Mass462.17
IUPAC Name2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-phenylbenzamide
SMILESCSc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C25H26N4O3S/c1-29(17-24(31)28-21-14-8-9-15-22(21)33-2)16-23(30)27-20-13-7-6-12-19(20)25(32)26-18-10-4-3-5-11-18/h3-15H,16-17H2,1-2H3,(H,26,32)(H,27,30)(H,28,31)
InChIKeyDLVHBMTZPWVICW-UHFFFAOYSA-N
XLogP4.17
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 16555132
2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2658446
2-[[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 27253562
2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2474016
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 4806218
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]acetamide
CID 9105977
N-(2-fluorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide;oxalic acid
CID 15945240
2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2521413
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9049169
N-(4-chlorophenyl)-2-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 78825949
2-[[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 8914883

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-phenylbenzamide (CID 2469957) is 2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-phenylbenzamide is CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-phenylbenzamide?
The InChIKey is DLVHBMTZPWVICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-29(17-24(31)28-21-14-8-9-15-22(21)33-2)16-23(30)27-20-13-7-6-12-19(20)25(32)26-18-10-4-3-5-11-18/h3-15H,16-17H2,1-2H3,(H,26,32)(H,27,30)(H,28,31).
What are the key properties of 2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-phenylbenzamide?
2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-phenylbenzamide has a molecular weight of 462.58 g/mol, XLogP of 4.17, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 2469957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).