N-butan-2-yl-2-methylsulfanylbenzamide

C12H17NOS — CID 2962961

IUPACN-butan-2-yl-2-methylsulfanylbenzamide
SMILESCCC(C)NC(=O)c1ccccc1SC
InChIInChI=1S/C12H17NOS/c1-4-9(2)13-12(14)10-7-5-6-8-11(10)15-3/h5-9H,4H2,1-3H3,(H,13,14)
InChIKeyBFJHOMADUJGBRP-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.94
Rot. Bonds4

About N-butan-2-yl-2-methylsulfanylbenzamide

N-butan-2-yl-2-methylsulfanylbenzamide (PubChem CID 2962961) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-butan-2-yl-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-methylsulfanylbenzamide
PubChem CID2962961
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-butan-2-yl-2-methylsulfanylbenzamide
SMILESCCC(C)NC(=O)c1ccccc1SC
InChIInChI=1S/C12H17NOS/c1-4-9(2)13-12(14)10-7-5-6-8-11(10)15-3/h5-9H,4H2,1-3H3,(H,13,14)
InChIKeyBFJHOMADUJGBRP-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-methylsulfanylbenzamide?
The IUPAC name of N-butan-2-yl-2-methylsulfanylbenzamide (CID 2962961) is N-butan-2-yl-2-methylsulfanylbenzamide.
What is the SMILES notation for N-butan-2-yl-2-methylsulfanylbenzamide?
The canonical SMILES for N-butan-2-yl-2-methylsulfanylbenzamide is CCC(C)NC(=O)c1ccccc1SC.
What is the InChIKey of N-butan-2-yl-2-methylsulfanylbenzamide?
The InChIKey is BFJHOMADUJGBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-4-9(2)13-12(14)10-7-5-6-8-11(10)15-3/h5-9H,4H2,1-3H3,(H,13,14).
What are the key properties of N-butan-2-yl-2-methylsulfanylbenzamide?
N-butan-2-yl-2-methylsulfanylbenzamide has a molecular weight of 223.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-methylsulfanylbenzamide is sourced from PubChem (CID 2962961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).