2-benzylsulfanyl-N-ethylbenzamide

C16H17NOS — CID 894590

IUPAC2-benzylsulfanyl-N-ethylbenzamide
SMILESCCNC(=O)c1ccccc1SCc1ccccc1
InChIInChI=1S/C16H17NOS/c1-2-17-16(18)14-10-6-7-11-15(14)19-12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,17,18)
InChIKeyLXCPEFNLQDHPIP-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.73
Rot. Bonds5

About 2-benzylsulfanyl-N-ethylbenzamide

2-benzylsulfanyl-N-ethylbenzamide (PubChem CID 894590) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-ethylbenzamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-ethylbenzamide
PubChem CID894590
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name2-benzylsulfanyl-N-ethylbenzamide
SMILESCCNC(=O)c1ccccc1SCc1ccccc1
InChIInChI=1S/C16H17NOS/c1-2-17-16(18)14-10-6-7-11-15(14)19-12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,17,18)
InChIKeyLXCPEFNLQDHPIP-UHFFFAOYSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-benzylsulfanyl-N-cyclopropylbenzamide
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2-[[4-[(2-carboxyphenyl)sulfanylmethyl]phenyl]methylsulfanyl]benzoic acid
CID 4101619
2-benzylsulfanyl-N-(4-chlorophenyl)benzamide
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2-(ethylcarbamoyl)benzoic acid;propan-2-one
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N-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
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N-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-ethylbenzamide?
The IUPAC name of 2-benzylsulfanyl-N-ethylbenzamide (CID 894590) is 2-benzylsulfanyl-N-ethylbenzamide.
What is the SMILES notation for 2-benzylsulfanyl-N-ethylbenzamide?
The canonical SMILES for 2-benzylsulfanyl-N-ethylbenzamide is CCNC(=O)c1ccccc1SCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-ethylbenzamide?
The InChIKey is LXCPEFNLQDHPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-2-17-16(18)14-10-6-7-11-15(14)19-12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,17,18).
What are the key properties of 2-benzylsulfanyl-N-ethylbenzamide?
2-benzylsulfanyl-N-ethylbenzamide has a molecular weight of 271.38 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-ethylbenzamide is sourced from PubChem (CID 894590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).