4-acetamido-N-(4-propan-2-ylsulfanylphenyl)benzamide

C18H20N2O2S — CID 110793142

IUPAC4-acetamido-N-(4-propan-2-ylsulfanylphenyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(SC(C)C)cc2)cc1
InChIInChI=1S/C18H20N2O2S/c1-12(2)23-17-10-8-16(9-11-17)20-18(22)14-4-6-15(7-5-14)19-13(3)21/h4-12H,1-3H3,(H,19,21)(H,20,22)
InChIKeyFAPYCBMJAWZPAY-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.40
Rot. Bonds5

About 4-acetamido-N-(4-propan-2-ylsulfanylphenyl)benzamide

4-acetamido-N-(4-propan-2-ylsulfanylphenyl)benzamide (PubChem CID 110793142) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 4-acetamido-N-(4-propan-2-ylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-(4-propan-2-ylsulfanylphenyl)benzamide
PubChem CID110793142
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name4-acetamido-N-(4-propan-2-ylsulfanylphenyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(SC(C)C)cc2)cc1
InChIInChI=1S/C18H20N2O2S/c1-12(2)23-17-10-8-16(9-11-17)20-18(22)14-4-6-15(7-5-14)19-13(3)21/h4-12H,1-3H3,(H,19,21)(H,20,22)
InChIKeyFAPYCBMJAWZPAY-UHFFFAOYSA-N
XLogP4.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-4-propan-2-ylsulfanylbenzamide
CID 18587119
(4-propan-2-ylsulfanylphenyl)carbamic acid
CID 115170656
N-[4-(3-amino-3-oxopropoxy)phenyl]-4-propan-2-ylsulfanylbenzamide
CID 55847557
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
CID 155141284
4-acetamido-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38166611
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-propan-2-ylsulfanylbenzamide
CID 56555924
4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide
CID 27648779
N-[4-[1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide
CID 22780471
1-propan-2-yl-3-(4-propan-2-ylsulfanylphenyl)urea
CID 110774685
4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide
CID 7999917
bis(4-propan-2-ylsulfanylphenyl)methanone
CID 134098559

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(4-propan-2-ylsulfanylphenyl)benzamide?
The IUPAC name of 4-acetamido-N-(4-propan-2-ylsulfanylphenyl)benzamide (CID 110793142) is 4-acetamido-N-(4-propan-2-ylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-acetamido-N-(4-propan-2-ylsulfanylphenyl)benzamide?
The canonical SMILES for 4-acetamido-N-(4-propan-2-ylsulfanylphenyl)benzamide is CC(=O)Nc1ccc(C(=O)Nc2ccc(SC(C)C)cc2)cc1.
What is the InChIKey of 4-acetamido-N-(4-propan-2-ylsulfanylphenyl)benzamide?
The InChIKey is FAPYCBMJAWZPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-12(2)23-17-10-8-16(9-11-17)20-18(22)14-4-6-15(7-5-14)19-13(3)21/h4-12H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 4-acetamido-N-(4-propan-2-ylsulfanylphenyl)benzamide?
4-acetamido-N-(4-propan-2-ylsulfanylphenyl)benzamide has a molecular weight of 328.44 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(4-propan-2-ylsulfanylphenyl)benzamide is sourced from PubChem (CID 110793142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).