2-methylsulfanyl-N-(1-thiophen-2-ylethyl)benzamide

C14H15NOS2 — CID 112766143

IUPAC2-methylsulfanyl-N-(1-thiophen-2-ylethyl)benzamide
SMILESCSc1ccccc1C(=O)NC(C)c1cccs1
InChIInChI=1S/C14H15NOS2/c1-10(12-8-5-9-18-12)15-14(16)11-6-3-4-7-13(11)17-2/h3-10H,1-2H3,(H,15,16)
InChIKeyJSDODFPVUAENIQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.96
Rot. Bonds4

About 2-methylsulfanyl-N-(1-thiophen-2-ylethyl)benzamide

2-methylsulfanyl-N-(1-thiophen-2-ylethyl)benzamide (PubChem CID 112766143) has the molecular formula C14H15NOS2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(1-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(1-thiophen-2-ylethyl)benzamide
PubChem CID112766143
Molecular FormulaC14H15NOS2
Molecular Weight277.41 g/mol
Exact Mass277.06
IUPAC Name2-methylsulfanyl-N-(1-thiophen-2-ylethyl)benzamide
SMILESCSc1ccccc1C(=O)NC(C)c1cccs1
InChIInChI=1S/C14H15NOS2/c1-10(12-8-5-9-18-12)15-14(16)11-6-3-4-7-13(11)17-2/h3-10H,1-2H3,(H,15,16)
InChIKeyJSDODFPVUAENIQ-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(1-thiophen-2-ylethyl)benzamide
CID 42907549
2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81407916
N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)benzamide
CID 17475338
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
N-[2-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 25497398
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310
5-bromo-2-fluoro-N-(1-thiophen-2-ylethyl)benzamide
CID 43397649
N-[(2R)-1-aminopropan-2-yl]-2-methylsulfanylbenzamide
CID 104873008
4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide
CID 17431646
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide
CID 92683618
N-(1-chloropropan-2-yl)-2-methylsulfanylbenzamide
CID 114299364
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methylsulfanylbenzamide
CID 79206171

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(1-thiophen-2-ylethyl)benzamide?
The IUPAC name of 2-methylsulfanyl-N-(1-thiophen-2-ylethyl)benzamide (CID 112766143) is 2-methylsulfanyl-N-(1-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-(1-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 2-methylsulfanyl-N-(1-thiophen-2-ylethyl)benzamide is CSc1ccccc1C(=O)NC(C)c1cccs1.
What is the InChIKey of 2-methylsulfanyl-N-(1-thiophen-2-ylethyl)benzamide?
The InChIKey is JSDODFPVUAENIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS2/c1-10(12-8-5-9-18-12)15-14(16)11-6-3-4-7-13(11)17-2/h3-10H,1-2H3,(H,15,16).
What are the key properties of 2-methylsulfanyl-N-(1-thiophen-2-ylethyl)benzamide?
2-methylsulfanyl-N-(1-thiophen-2-ylethyl)benzamide has a molecular weight of 277.41 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(1-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 112766143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).