3-amino-N-(2-cyanoethyl)-N-phenylthiophene-2-carboxamide

C14H13N3OS — CID 61093926

IUPAC3-amino-N-(2-cyanoethyl)-N-phenylthiophene-2-carboxamide
SMILESN#CCCN(C(=O)c1sccc1N)c1ccccc1
InChIInChI=1S/C14H13N3OS/c15-8-4-9-17(11-5-2-1-3-6-11)14(18)13-12(16)7-10-19-13/h1-3,5-7,10H,4,9,16H2
InChIKeyJYHAJCQSZNFYJV-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.89
Rot. Bonds4

About 3-amino-N-(2-cyanoethyl)-N-phenylthiophene-2-carboxamide

3-amino-N-(2-cyanoethyl)-N-phenylthiophene-2-carboxamide (PubChem CID 61093926) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 3-amino-N-(2-cyanoethyl)-N-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-cyanoethyl)-N-phenylthiophene-2-carboxamide
PubChem CID61093926
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name3-amino-N-(2-cyanoethyl)-N-phenylthiophene-2-carboxamide
SMILESN#CCCN(C(=O)c1sccc1N)c1ccccc1
InChIInChI=1S/C14H13N3OS/c15-8-4-9-17(11-5-2-1-3-6-11)14(18)13-12(16)7-10-19-13/h1-3,5-7,10H,4,9,16H2
InChIKeyJYHAJCQSZNFYJV-UHFFFAOYSA-N
XLogP2.89
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-amino-N-(2-cyanoethyl)-3,3,3-trifluoro-2-methyl-N-phenylpropanamide
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N-(2-cyanoethyl)-N-(4-methylphenyl)benzamide
CID 2429232
2-bromo-N-(2-cyanoethyl)-N-phenylpropanamide
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N-(2-cyanoethyl)-2,5-dihydroxy-N-phenylbenzamide
CID 107721972
N-(2-cyanoethyl)-3,4-difluoro-N-phenylbenzamide
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CID 24710774

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyanoethyl)-N-phenylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(2-cyanoethyl)-N-phenylthiophene-2-carboxamide (CID 61093926) is 3-amino-N-(2-cyanoethyl)-N-phenylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-cyanoethyl)-N-phenylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-cyanoethyl)-N-phenylthiophene-2-carboxamide is N#CCCN(C(=O)c1sccc1N)c1ccccc1.
What is the InChIKey of 3-amino-N-(2-cyanoethyl)-N-phenylthiophene-2-carboxamide?
The InChIKey is JYHAJCQSZNFYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c15-8-4-9-17(11-5-2-1-3-6-11)14(18)13-12(16)7-10-19-13/h1-3,5-7,10H,4,9,16H2.
What are the key properties of 3-amino-N-(2-cyanoethyl)-N-phenylthiophene-2-carboxamide?
3-amino-N-(2-cyanoethyl)-N-phenylthiophene-2-carboxamide has a molecular weight of 271.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyanoethyl)-N-phenylthiophene-2-carboxamide is sourced from PubChem (CID 61093926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).