2-benzylsulfanyl-N-cyclopropylbenzamide

C17H17NOS — CID 41455363

IUPAC2-benzylsulfanyl-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccccc1SCc1ccccc1
InChIInChI=1S/C17H17NOS/c19-17(18-14-10-11-14)15-8-4-5-9-16(15)20-12-13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H,18,19)
InChIKeyZZQAMJCZAHSSBI-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.87
Rot. Bonds5

About 2-benzylsulfanyl-N-cyclopropylbenzamide

2-benzylsulfanyl-N-cyclopropylbenzamide (PubChem CID 41455363) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-cyclopropylbenzamide
PubChem CID41455363
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name2-benzylsulfanyl-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccccc1SCc1ccccc1
InChIInChI=1S/C17H17NOS/c19-17(18-14-10-11-14)15-8-4-5-9-16(15)20-12-13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H,18,19)
InChIKeyZZQAMJCZAHSSBI-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-cyclopropylbenzamide?
The IUPAC name of 2-benzylsulfanyl-N-cyclopropylbenzamide (CID 41455363) is 2-benzylsulfanyl-N-cyclopropylbenzamide.
What is the SMILES notation for 2-benzylsulfanyl-N-cyclopropylbenzamide?
The canonical SMILES for 2-benzylsulfanyl-N-cyclopropylbenzamide is O=C(NC1CC1)c1ccccc1SCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-cyclopropylbenzamide?
The InChIKey is ZZQAMJCZAHSSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c19-17(18-14-10-11-14)15-8-4-5-9-16(15)20-12-13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H,18,19).
What are the key properties of 2-benzylsulfanyl-N-cyclopropylbenzamide?
2-benzylsulfanyl-N-cyclopropylbenzamide has a molecular weight of 283.40 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-cyclopropylbenzamide is sourced from PubChem (CID 41455363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).