N-(2-methylpropylcarbamoyl)-2-(2-phenylsulfanylanilino)acetamide

C19H23N3O2S — CID 24583270

IUPACN-(2-methylpropylcarbamoyl)-2-(2-phenylsulfanylanilino)acetamide
SMILESCC(C)CNC(=O)NC(=O)CNc1ccccc1Sc1ccccc1
InChIInChI=1S/C19H23N3O2S/c1-14(2)12-21-19(24)22-18(23)13-20-16-10-6-7-11-17(16)25-15-8-4-3-5-9-15/h3-11,14,20H,12-13H2,1-2H3,(H2,21,22,23,24)
InChIKeyHEXNRBIWCRHMOK-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.73
Rot. Bonds7

About N-(2-methylpropylcarbamoyl)-2-(2-phenylsulfanylanilino)acetamide

N-(2-methylpropylcarbamoyl)-2-(2-phenylsulfanylanilino)acetamide (PubChem CID 24583270) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(2-methylpropylcarbamoyl)-2-(2-phenylsulfanylanilino)acetamide.

Molecular Properties

Compound NameN-(2-methylpropylcarbamoyl)-2-(2-phenylsulfanylanilino)acetamide
PubChem CID24583270
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-(2-methylpropylcarbamoyl)-2-(2-phenylsulfanylanilino)acetamide
SMILESCC(C)CNC(=O)NC(=O)CNc1ccccc1Sc1ccccc1
InChIInChI=1S/C19H23N3O2S/c1-14(2)12-21-19(24)22-18(23)13-20-16-10-6-7-11-17(16)25-15-8-4-3-5-9-15/h3-11,14,20H,12-13H2,1-2H3,(H2,21,22,23,24)
InChIKeyHEXNRBIWCRHMOK-UHFFFAOYSA-N
XLogP3.73
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-phenylsulfanylanilino)-N-(propan-2-ylcarbamoyl)acetamide
CID 24583272
N-(dicyclopropylmethyl)-2-(2-phenylsulfanylanilino)acetamide
CID 29469612
N-methyl-N-phenyl-2-(2-phenylsulfanylanilino)acetamide
CID 24583235
2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9132325
N,N-diethyl-4-[[2-(2-phenylsulfanylanilino)acetyl]amino]benzamide
CID 42068550
2-(4-chloroanilino)-N-(2-methylpropylcarbamoyl)acetamide
CID 26506580
2-(4-fluoroanilino)-N-(2-methylpropylcarbamoyl)acetamide
CID 26506069
2-(3-methylanilino)-N-(2-methylpropylcarbamoyl)acetamide
CID 47107125
S-phenyl 2-(2-methylpropylcarbamoylamino)ethanethioate
CID 167100980
2-(2-ethylanilino)-N-(2-methylpropyl)acetamide
CID 28583341
N-(2-methylpropyl)-2-(2-propan-2-ylanilino)acetamide
CID 28573972
2-benzylsulfanyl-N-(2-methylpropylcarbamoyl)acetamide
CID 2647854

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropylcarbamoyl)-2-(2-phenylsulfanylanilino)acetamide?
The IUPAC name of N-(2-methylpropylcarbamoyl)-2-(2-phenylsulfanylanilino)acetamide (CID 24583270) is N-(2-methylpropylcarbamoyl)-2-(2-phenylsulfanylanilino)acetamide.
What is the SMILES notation for N-(2-methylpropylcarbamoyl)-2-(2-phenylsulfanylanilino)acetamide?
The canonical SMILES for N-(2-methylpropylcarbamoyl)-2-(2-phenylsulfanylanilino)acetamide is CC(C)CNC(=O)NC(=O)CNc1ccccc1Sc1ccccc1.
What is the InChIKey of N-(2-methylpropylcarbamoyl)-2-(2-phenylsulfanylanilino)acetamide?
The InChIKey is HEXNRBIWCRHMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-14(2)12-21-19(24)22-18(23)13-20-16-10-6-7-11-17(16)25-15-8-4-3-5-9-15/h3-11,14,20H,12-13H2,1-2H3,(H2,21,22,23,24).
What are the key properties of N-(2-methylpropylcarbamoyl)-2-(2-phenylsulfanylanilino)acetamide?
N-(2-methylpropylcarbamoyl)-2-(2-phenylsulfanylanilino)acetamide has a molecular weight of 357.48 g/mol, XLogP of 3.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropylcarbamoyl)-2-(2-phenylsulfanylanilino)acetamide is sourced from PubChem (CID 24583270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).