N-(4-methoxyphenyl)-4-propan-2-ylsulfanylbenzamide

C17H19NO2S — CID 18587119

IUPACN-(4-methoxyphenyl)-4-propan-2-ylsulfanylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(SC(C)C)cc2)cc1
InChIInChI=1S/C17H19NO2S/c1-12(2)21-16-10-4-13(5-11-16)17(19)18-14-6-8-15(20-3)9-7-14/h4-12H,1-3H3,(H,18,19)
InChIKeyPAKQYIYPQKBFKV-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.45
Rot. Bonds5

About N-(4-methoxyphenyl)-4-propan-2-ylsulfanylbenzamide

N-(4-methoxyphenyl)-4-propan-2-ylsulfanylbenzamide (PubChem CID 18587119) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-propan-2-ylsulfanylbenzamide
PubChem CID18587119
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-(4-methoxyphenyl)-4-propan-2-ylsulfanylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(SC(C)C)cc2)cc1
InChIInChI=1S/C17H19NO2S/c1-12(2)21-16-10-4-13(5-11-16)17(19)18-14-6-8-15(20-3)9-7-14/h4-12H,1-3H3,(H,18,19)
InChIKeyPAKQYIYPQKBFKV-UHFFFAOYSA-N
XLogP4.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-(4-propan-2-ylsulfanylphenyl)benzamide
CID 110793142
N-[4-(3-amino-3-oxopropoxy)phenyl]-4-propan-2-ylsulfanylbenzamide
CID 55847557
N-[4-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-methoxybenzamide
CID 22780100
4-methoxy-N-[4-[1-(4-nitroanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 22782674
4-methoxy-N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]benzamide
CID 23098487
4-fluoro-N-[4-(4-methoxyanilino)sulfanylphenyl]benzamide
CID 170977170
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684
N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 2994922
4-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)benzamide
CID 16651154
4-[2-(4-methoxyphenoxy)propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 55504736

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-propan-2-ylsulfanylbenzamide (CID 18587119) is N-(4-methoxyphenyl)-4-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-propan-2-ylsulfanylbenzamide is COc1ccc(NC(=O)c2ccc(SC(C)C)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-propan-2-ylsulfanylbenzamide?
The InChIKey is PAKQYIYPQKBFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-12(2)21-16-10-4-13(5-11-16)17(19)18-14-6-8-15(20-3)9-7-14/h4-12H,1-3H3,(H,18,19).
What are the key properties of N-(4-methoxyphenyl)-4-propan-2-ylsulfanylbenzamide?
N-(4-methoxyphenyl)-4-propan-2-ylsulfanylbenzamide has a molecular weight of 301.41 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 18587119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).