N-(3,4-dimethylphenyl)-2-propan-2-ylsulfanylbenzamide

C18H21NOS — CID 9179609

IUPACN-(3,4-dimethylphenyl)-2-propan-2-ylsulfanylbenzamide
SMILESCc1ccc(NC(=O)c2ccccc2SC(C)C)cc1C
InChIInChI=1S/C18H21NOS/c1-12(2)21-17-8-6-5-7-16(17)18(20)19-15-10-9-13(3)14(4)11-15/h5-12H,1-4H3,(H,19,20)
InChIKeyNAQZTCVUFLLYSW-UHFFFAOYSA-N
MW299.44 g/mol
LogP5.06
Rot. Bonds4

About N-(3,4-dimethylphenyl)-2-propan-2-ylsulfanylbenzamide

N-(3,4-dimethylphenyl)-2-propan-2-ylsulfanylbenzamide (PubChem CID 9179609) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-propan-2-ylsulfanylbenzamide
PubChem CID9179609
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC NameN-(3,4-dimethylphenyl)-2-propan-2-ylsulfanylbenzamide
SMILESCc1ccc(NC(=O)c2ccccc2SC(C)C)cc1C
InChIInChI=1S/C18H21NOS/c1-12(2)21-17-8-6-5-7-16(17)18(20)19-15-10-9-13(3)14(4)11-15/h5-12H,1-4H3,(H,19,20)
InChIKeyNAQZTCVUFLLYSW-UHFFFAOYSA-N
XLogP5.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.44
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-methylpropanoylamino)phenyl]-2-propan-2-ylsulfanylbenzamide
CID 78773494
N-(4-chlorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 17224527
N-(3-chloro-4-fluorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 9173217
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide
CID 112758656
N-(3-bromo-4-methylphenyl)-2-methylsulfanylbenzamide
CID 112725117
N-(3,4-dimethylphenyl)-2,3-dimethylbenzamide
CID 26593883
methyl 4-methyl-3-[(2-propan-2-ylsulfanylbenzoyl)amino]benzoate
CID 9173341
N-(4-bromo-3-methylphenyl)-2-methylsulfanylbenzamide
CID 1243705
N-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide
CID 100707473
1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
CID 4945134
2-chloro-N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzamide
CID 2990559
N-(3,4-dimethylphenyl)-2-isocyanatobenzamide
CID 169352747

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-propan-2-ylsulfanylbenzamide (CID 9179609) is N-(3,4-dimethylphenyl)-2-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-propan-2-ylsulfanylbenzamide is Cc1ccc(NC(=O)c2ccccc2SC(C)C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-propan-2-ylsulfanylbenzamide?
The InChIKey is NAQZTCVUFLLYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-12(2)21-17-8-6-5-7-16(17)18(20)19-15-10-9-13(3)14(4)11-15/h5-12H,1-4H3,(H,19,20).
What are the key properties of N-(3,4-dimethylphenyl)-2-propan-2-ylsulfanylbenzamide?
N-(3,4-dimethylphenyl)-2-propan-2-ylsulfanylbenzamide has a molecular weight of 299.44 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 9179609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).