N-(3-cyanophenyl)-2-thiophen-2-ylcyclopropane-1-carboxamide

C15H12N2OS — CID 110681378

IUPACN-(3-cyanophenyl)-2-thiophen-2-ylcyclopropane-1-carboxamide
SMILESN#Cc1cccc(NC(=O)C2CC2c2cccs2)c1
InChIInChI=1S/C15H12N2OS/c16-9-10-3-1-4-11(7-10)17-15(18)13-8-12(13)14-5-2-6-19-14/h1-7,12-13H,8H2,(H,17,18)
InChIKeyYDMRYGZLHMGBNV-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.36
Rot. Bonds3

About N-(3-cyanophenyl)-2-thiophen-2-ylcyclopropane-1-carboxamide

N-(3-cyanophenyl)-2-thiophen-2-ylcyclopropane-1-carboxamide (PubChem CID 110681378) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-thiophen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-thiophen-2-ylcyclopropane-1-carboxamide
PubChem CID110681378
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC NameN-(3-cyanophenyl)-2-thiophen-2-ylcyclopropane-1-carboxamide
SMILESN#Cc1cccc(NC(=O)C2CC2c2cccs2)c1
InChIInChI=1S/C15H12N2OS/c16-9-10-3-1-4-11(7-10)17-15(18)13-8-12(13)14-5-2-6-19-14/h1-7,12-13H,8H2,(H,17,18)
InChIKeyYDMRYGZLHMGBNV-UHFFFAOYSA-N
XLogP3.36
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-cyanophenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141101
2-N-(3-cyanophenyl)-1-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140997
(1R,2R,4S)-N-(3-cyanophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98368145
N-(4-methoxyphenyl)-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 110681350
1-N-(3-cyanophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130608
1-N-(3-cyanophenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143462
(2S)-N-(3-cyanophenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 32735405
(1S,2R,4R,5S)-N-(3-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98787879
N-cyclopropyl-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 110681267
N-[4-(4-chlorophenyl)sulfonylphenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 139582978
1-N-(3-cyanophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143641
1-N-(3-cyanophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133078

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-thiophen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2-thiophen-2-ylcyclopropane-1-carboxamide (CID 110681378) is N-(3-cyanophenyl)-2-thiophen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-thiophen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2-thiophen-2-ylcyclopropane-1-carboxamide is N#Cc1cccc(NC(=O)C2CC2c2cccs2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-thiophen-2-ylcyclopropane-1-carboxamide?
The InChIKey is YDMRYGZLHMGBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c16-9-10-3-1-4-11(7-10)17-15(18)13-8-12(13)14-5-2-6-19-14/h1-7,12-13H,8H2,(H,17,18).
What are the key properties of N-(3-cyanophenyl)-2-thiophen-2-ylcyclopropane-1-carboxamide?
N-(3-cyanophenyl)-2-thiophen-2-ylcyclopropane-1-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-thiophen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 110681378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).