N-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]butanamide

C19H22N2O2S — CID 974708

IUPACN-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1NC(=O)CSc1ccc(C)cc1
InChIInChI=1S/C19H22N2O2S/c1-3-6-18(22)20-16-7-4-5-8-17(16)21-19(23)13-24-15-11-9-14(2)10-12-15/h4-5,7-12H,3,6,13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyXEDMIMVRISGJMA-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.46
Rot. Bonds7

About N-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]butanamide

N-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]butanamide (PubChem CID 974708) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]butanamide
PubChem CID974708
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1NC(=O)CSc1ccc(C)cc1
InChIInChI=1S/C19H22N2O2S/c1-3-6-18(22)20-16-7-4-5-8-17(16)21-19(23)13-24-15-11-9-14(2)10-12-15/h4-5,7-12H,3,6,13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyXEDMIMVRISGJMA-UHFFFAOYSA-N
XLogP4.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-phenylsulfanylacetyl)amino]phenyl]butanamide
CID 895128
N-(2-ethylsulfanylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 46763178
N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 119438694
2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 27015578
N-[2-(difluoromethoxy)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 2995782
N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 734052
N-[(2S)-butan-2-yl]-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
CID 34736203
N-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 956628
N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 1244966
N-(2-methylphenyl)-2-(4-propanoylphenyl)sulfanylacetamide
CID 94779353
N-(2-chlorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22782055
N-carbamoyl-2-(4-methylphenyl)sulfanylacetamide
CID 8752877

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]butanamide?
The IUPAC name of N-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]butanamide (CID 974708) is N-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]butanamide?
The canonical SMILES for N-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]butanamide is CCCC(=O)Nc1ccccc1NC(=O)CSc1ccc(C)cc1.
What is the InChIKey of N-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]butanamide?
The InChIKey is XEDMIMVRISGJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-3-6-18(22)20-16-7-4-5-8-17(16)21-19(23)13-24-15-11-9-14(2)10-12-15/h4-5,7-12H,3,6,13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]butanamide?
N-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]butanamide has a molecular weight of 342.46 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]butanamide is sourced from PubChem (CID 974708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).