N-(3-cyanothiophen-2-yl)-3-propan-2-ylsulfanylbenzamide

C15H14N2OS2 — CID 18587111

IUPACN-(3-cyanothiophen-2-yl)-3-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1cccc(C(=O)Nc2sccc2C#N)c1
InChIInChI=1S/C15H14N2OS2/c1-10(2)20-13-5-3-4-11(8-13)14(18)17-15-12(9-16)6-7-19-15/h3-8,10H,1-2H3,(H,17,18)
InChIKeyCBKNOYLOLJPLCA-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.37
Rot. Bonds4

About N-(3-cyanothiophen-2-yl)-3-propan-2-ylsulfanylbenzamide

N-(3-cyanothiophen-2-yl)-3-propan-2-ylsulfanylbenzamide (PubChem CID 18587111) has the molecular formula C15H14N2OS2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-3-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-3-propan-2-ylsulfanylbenzamide
PubChem CID18587111
Molecular FormulaC15H14N2OS2
Molecular Weight302.42 g/mol
Exact Mass302.05
IUPAC NameN-(3-cyanothiophen-2-yl)-3-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1cccc(C(=O)Nc2sccc2C#N)c1
InChIInChI=1S/C15H14N2OS2/c1-10(2)20-13-5-3-4-11(8-13)14(18)17-15-12(9-16)6-7-19-15/h3-8,10H,1-2H3,(H,17,18)
InChIKeyCBKNOYLOLJPLCA-UHFFFAOYSA-N
XLogP4.37
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[2-[(3-propan-2-ylsulfanylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 41147034
N-(3-cyanothiophen-2-yl)-3-methoxybenzamide
CID 2377141
N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide
CID 2137658
N-(3,5-dimethylphenyl)-3-propan-2-ylsulfanylbenzamide
CID 8701079
N-(3-cyanothiophen-2-yl)-3,4-dimethoxybenzamide
CID 7164206
N-(3-cyanothiophen-2-yl)-2,6-dimethoxybenzamide
CID 7192360
N-(3-cyanothiophen-2-yl)-3-[[[(1R)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide
CID 95189125
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate
CID 7806413
methyl 4-[(3-cyanothiophen-2-yl)carbamoyl]benzoate
CID 2137661
(2R)-N-(3-cyanothiophen-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 8006101
N-(3-cyanothiophen-2-yl)-2-methylbenzamide
CID 7192349
N-(3-cyanothiophen-2-yl)-4-ethylbenzamide
CID 8914983

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-3-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-3-propan-2-ylsulfanylbenzamide (CID 18587111) is N-(3-cyanothiophen-2-yl)-3-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-3-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-3-propan-2-ylsulfanylbenzamide is CC(C)Sc1cccc(C(=O)Nc2sccc2C#N)c1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-3-propan-2-ylsulfanylbenzamide?
The InChIKey is CBKNOYLOLJPLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS2/c1-10(2)20-13-5-3-4-11(8-13)14(18)17-15-12(9-16)6-7-19-15/h3-8,10H,1-2H3,(H,17,18).
What are the key properties of N-(3-cyanothiophen-2-yl)-3-propan-2-ylsulfanylbenzamide?
N-(3-cyanothiophen-2-yl)-3-propan-2-ylsulfanylbenzamide has a molecular weight of 302.42 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-3-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 18587111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).