2-(2-phenylsulfanylanilino)-N-(propan-2-ylcarbamoyl)acetamide

C18H21N3O2S — CID 24583272

IUPAC2-(2-phenylsulfanylanilino)-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)CNc1ccccc1Sc1ccccc1
InChIInChI=1S/C18H21N3O2S/c1-13(2)20-18(23)21-17(22)12-19-15-10-6-7-11-16(15)24-14-8-4-3-5-9-14/h3-11,13,19H,12H2,1-2H3,(H2,20,21,22,23)
InChIKeyOMECYLZXXZIGLY-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.48
Rot. Bonds6

About 2-(2-phenylsulfanylanilino)-N-(propan-2-ylcarbamoyl)acetamide

2-(2-phenylsulfanylanilino)-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 24583272) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-(2-phenylsulfanylanilino)-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-phenylsulfanylanilino)-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID24583272
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name2-(2-phenylsulfanylanilino)-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)CNc1ccccc1Sc1ccccc1
InChIInChI=1S/C18H21N3O2S/c1-13(2)20-18(23)21-17(22)12-19-15-10-6-7-11-16(15)24-14-8-4-3-5-9-14/h3-11,13,19H,12H2,1-2H3,(H2,20,21,22,23)
InChIKeyOMECYLZXXZIGLY-UHFFFAOYSA-N
XLogP3.48
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropylcarbamoyl)-2-(2-phenylsulfanylanilino)acetamide
CID 24583270
2-(2-iodoanilino)-N-(propan-2-ylcarbamoyl)acetamide
CID 18096510
N-(dicyclopropylmethyl)-2-(2-phenylsulfanylanilino)acetamide
CID 29469612
N-methyl-N-phenyl-2-(2-phenylsulfanylanilino)acetamide
CID 24583235
2-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylbenzoic acid
CID 43238211
N-[2-(cyanomethylsulfanyl)phenyl]-2-(2-phenylsulfanylanilino)acetamide
CID 42068568
N,N-diethyl-4-[[2-(2-phenylsulfanylanilino)acetyl]amino]benzamide
CID 42068550
1-pentan-3-yl-3-(2-phenylsulfanylphenyl)urea
CID 108888275
N-(4-methoxy-2-nitrophenyl)-2-(2-phenylsulfanylanilino)acetamide
CID 24583260
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylbenzoic acid
CID 43242280
N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide
CID 60648203

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylsulfanylanilino)-N-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-(2-phenylsulfanylanilino)-N-(propan-2-ylcarbamoyl)acetamide (CID 24583272) is 2-(2-phenylsulfanylanilino)-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-phenylsulfanylanilino)-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-phenylsulfanylanilino)-N-(propan-2-ylcarbamoyl)acetamide is CC(C)NC(=O)NC(=O)CNc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-(2-phenylsulfanylanilino)-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is OMECYLZXXZIGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-13(2)20-18(23)21-17(22)12-19-15-10-6-7-11-16(15)24-14-8-4-3-5-9-14/h3-11,13,19H,12H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 2-(2-phenylsulfanylanilino)-N-(propan-2-ylcarbamoyl)acetamide?
2-(2-phenylsulfanylanilino)-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 343.45 g/mol, XLogP of 3.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylsulfanylanilino)-N-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 24583272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).