N-tert-butyl-2-thiophen-2-ylsulfanylbenzamide

C15H17NOS2 — CID 101454258

IUPACN-tert-butyl-2-thiophen-2-ylsulfanylbenzamide
SMILESCC(C)(C)NC(=O)c1ccccc1Sc1cccs1
InChIInChI=1S/C15H17NOS2/c1-15(2,3)16-14(17)11-7-4-5-8-12(11)19-13-9-6-10-18-13/h4-10H,1-3H3,(H,16,17)
InChIKeyYIKMRXPOUOLMTC-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.43
Rot. Bonds3

About N-tert-butyl-2-thiophen-2-ylsulfanylbenzamide

N-tert-butyl-2-thiophen-2-ylsulfanylbenzamide (PubChem CID 101454258) has the molecular formula C15H17NOS2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-tert-butyl-2-thiophen-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-tert-butyl-2-thiophen-2-ylsulfanylbenzamide
PubChem CID101454258
Molecular FormulaC15H17NOS2
Molecular Weight291.44 g/mol
Exact Mass291.08
IUPAC NameN-tert-butyl-2-thiophen-2-ylsulfanylbenzamide
SMILESCC(C)(C)NC(=O)c1ccccc1Sc1cccs1
InChIInChI=1S/C15H17NOS2/c1-15(2,3)16-14(17)11-7-4-5-8-12(11)19-13-9-6-10-18-13/h4-10H,1-3H3,(H,16,17)
InChIKeyYIKMRXPOUOLMTC-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-thiophen-2-ylsulfanylbenzamide?
The IUPAC name of N-tert-butyl-2-thiophen-2-ylsulfanylbenzamide (CID 101454258) is N-tert-butyl-2-thiophen-2-ylsulfanylbenzamide.
What is the SMILES notation for N-tert-butyl-2-thiophen-2-ylsulfanylbenzamide?
The canonical SMILES for N-tert-butyl-2-thiophen-2-ylsulfanylbenzamide is CC(C)(C)NC(=O)c1ccccc1Sc1cccs1.
What is the InChIKey of N-tert-butyl-2-thiophen-2-ylsulfanylbenzamide?
The InChIKey is YIKMRXPOUOLMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS2/c1-15(2,3)16-14(17)11-7-4-5-8-12(11)19-13-9-6-10-18-13/h4-10H,1-3H3,(H,16,17).
What are the key properties of N-tert-butyl-2-thiophen-2-ylsulfanylbenzamide?
N-tert-butyl-2-thiophen-2-ylsulfanylbenzamide has a molecular weight of 291.44 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-thiophen-2-ylsulfanylbenzamide is sourced from PubChem (CID 101454258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).