N-tert-butyl-2-methylsulfanylbenzamide

C12H17NOS — CID 967733

IUPACN-tert-butyl-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NC(C)(C)C
InChIInChI=1S/C12H17NOS/c1-12(2,3)13-11(14)9-7-5-6-8-10(9)15-4/h5-8H,1-4H3,(H,13,14)
InChIKeyKCEZCTGOCYYSSX-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.94
Rot. Bonds2

About N-tert-butyl-2-methylsulfanylbenzamide

N-tert-butyl-2-methylsulfanylbenzamide (PubChem CID 967733) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-tert-butyl-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-tert-butyl-2-methylsulfanylbenzamide
PubChem CID967733
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-tert-butyl-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NC(C)(C)C
InChIInChI=1S/C12H17NOS/c1-12(2,3)13-11(14)9-7-5-6-8-10(9)15-4/h5-8H,1-4H3,(H,13,14)
InChIKeyKCEZCTGOCYYSSX-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(difluoromethylsulfanyl)benzamide
CID 60645913
[2-(tert-butylcarbamoyl)phenyl] thiocyanate
CID 88721437
N-tert-butyl-2-hydroxybenzamide
CID 139189948
2-methylsulfanylbenzoate
CID 6932478
N-(2,2-dimethyl-1-phenylpropyl)-2-methylsulfanylbenzamide
CID 112820701
N-tert-butyl-2-thiophen-2-ylsulfanylbenzamide
CID 101454258
1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide
CID 141420303
N-(2-tert-butylsulfanylethyl)-2-methylsulfanylbenzamide
CID 2224882
1-N,2-N,3-N-tritert-butylbenzene-1,2,3-tricarboxamide
CID 141065547
methyl 2-(tert-butylcarbamoyl)benzoate
CID 108785469
N'-(2-bromobenzoyl)-2-methylsulfanylbenzohydrazide
CID 4807983
2-methylsulfanyl-N-[4-[4-[(2-methylsulfanylbenzoyl)amino]phenyl]phenyl]benzamide
CID 43980757

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methylsulfanylbenzamide?
The IUPAC name of N-tert-butyl-2-methylsulfanylbenzamide (CID 967733) is N-tert-butyl-2-methylsulfanylbenzamide.
What is the SMILES notation for N-tert-butyl-2-methylsulfanylbenzamide?
The canonical SMILES for N-tert-butyl-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methylsulfanylbenzamide?
The InChIKey is KCEZCTGOCYYSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-12(2,3)13-11(14)9-7-5-6-8-10(9)15-4/h5-8H,1-4H3,(H,13,14).
What are the key properties of N-tert-butyl-2-methylsulfanylbenzamide?
N-tert-butyl-2-methylsulfanylbenzamide has a molecular weight of 223.34 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methylsulfanylbenzamide is sourced from PubChem (CID 967733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).