N-(3-cyanothiophen-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide

C14H10N2O2S — CID 2809631

IUPACN-(3-cyanothiophen-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESN#Cc1ccsc1NC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H10N2O2S/c15-8-11-4-6-19-14(11)16-13(17)10-1-2-12-9(7-10)3-5-18-12/h1-2,4,6-7H,3,5H2,(H,16,17)
InChIKeyKQALXKDYCVQMPS-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.81
Rot. Bonds2

About N-(3-cyanothiophen-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide

N-(3-cyanothiophen-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 2809631) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID2809631
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC NameN-(3-cyanothiophen-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESN#Cc1ccsc1NC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H10N2O2S/c15-8-11-4-6-19-14(11)16-13(17)10-1-2-12-9(7-10)3-5-18-12/h1-2,4,6-7H,3,5H2,(H,16,17)
InChIKeyKQALXKDYCVQMPS-UHFFFAOYSA-N
XLogP2.81
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-cyanothiophen-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-ethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one
CID 162368296
Art-IN-1
CID 162368334
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(3-methylbutoxy)benzamide
CID 1898233
N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)propanamide
CID 4539256
2-(2-(2-Methoxy-5-methylphenyl)acetamido)thiophene-3-carboxamide
CID 16912155
Ethyl 4-cyano-5-(4-ethoxybenzamido)-3-methylthiophene-2-carboxylate
CID 1220545
2-(2-(4-Ethoxyphenyl)acetamido)thiophene-3-carboxamide
CID 8719932
N-(3-cyanothiophen-2-yl)-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 17565088
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methoxybenzamide
CID 2790238
Isopropyl 4-cyano-5-[(4-ethoxybenzoyl)amino]-3-methyl-2-thiophenecarboxylate
CID 4658597
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methoxybenzamide
CID 775351
Ethyl 4-cyano-5-(4-methoxybenzamido)-3-methylthiophene-2-carboxylate
CID 1684056

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 2809631) is N-(3-cyanothiophen-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide is N#Cc1ccsc1NC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is KQALXKDYCVQMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c15-8-11-4-6-19-14(11)16-13(17)10-1-2-12-9(7-10)3-5-18-12/h1-2,4,6-7H,3,5H2,(H,16,17).
What are the key properties of N-(3-cyanothiophen-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(3-cyanothiophen-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 270.31 g/mol, XLogP of 2.81, 2 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)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 2809631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).