2-[(4-ethylbenzoyl)amino]-N-(2H-triazol-4-ylmethyl)thiophene-3-carboxamide

C17H17N5O2S — CID 75494949

IUPAC2-[(4-ethylbenzoyl)amino]-N-(2H-triazol-4-ylmethyl)thiophene-3-carboxamide
SMILESCCc1ccc(C(=O)Nc2sccc2C(=O)NCc2cn[nH]n2)cc1
InChIInChI=1S/C17H17N5O2S/c1-2-11-3-5-12(6-4-11)15(23)20-17-14(7-8-25-17)16(24)18-9-13-10-19-22-21-13/h3-8,10H,2,9H2,1H3,(H,18,24)(H,20,23)(H,19,21,22)
InChIKeyZRIZPBISDKLUJE-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.61
Rot. Bonds6

About 2-[(4-ethylbenzoyl)amino]-N-(2H-triazol-4-ylmethyl)thiophene-3-carboxamide

2-[(4-ethylbenzoyl)amino]-N-(2H-triazol-4-ylmethyl)thiophene-3-carboxamide (PubChem CID 75494949) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-[(4-ethylbenzoyl)amino]-N-(2H-triazol-4-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(4-ethylbenzoyl)amino]-N-(2H-triazol-4-ylmethyl)thiophene-3-carboxamide
PubChem CID75494949
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name2-[(4-ethylbenzoyl)amino]-N-(2H-triazol-4-ylmethyl)thiophene-3-carboxamide
SMILESCCc1ccc(C(=O)Nc2sccc2C(=O)NCc2cn[nH]n2)cc1
InChIInChI=1S/C17H17N5O2S/c1-2-11-3-5-12(6-4-11)15(23)20-17-14(7-8-25-17)16(24)18-9-13-10-19-22-21-13/h3-8,10H,2,9H2,1H3,(H,18,24)(H,20,23)(H,19,21,22)
InChIKeyZRIZPBISDKLUJE-UHFFFAOYSA-N
XLogP2.61
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylbenzoyl)amino]-N-(2H-triazol-4-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of 2-[(4-ethylbenzoyl)amino]-N-(2H-triazol-4-ylmethyl)thiophene-3-carboxamide (CID 75494949) is 2-[(4-ethylbenzoyl)amino]-N-(2H-triazol-4-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-[(4-ethylbenzoyl)amino]-N-(2H-triazol-4-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for 2-[(4-ethylbenzoyl)amino]-N-(2H-triazol-4-ylmethyl)thiophene-3-carboxamide is CCc1ccc(C(=O)Nc2sccc2C(=O)NCc2cn[nH]n2)cc1.
What is the InChIKey of 2-[(4-ethylbenzoyl)amino]-N-(2H-triazol-4-ylmethyl)thiophene-3-carboxamide?
The InChIKey is ZRIZPBISDKLUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-2-11-3-5-12(6-4-11)15(23)20-17-14(7-8-25-17)16(24)18-9-13-10-19-22-21-13/h3-8,10H,2,9H2,1H3,(H,18,24)(H,20,23)(H,19,21,22).
What are the key properties of 2-[(4-ethylbenzoyl)amino]-N-(2H-triazol-4-ylmethyl)thiophene-3-carboxamide?
2-[(4-ethylbenzoyl)amino]-N-(2H-triazol-4-ylmethyl)thiophene-3-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylbenzoyl)amino]-N-(2H-triazol-4-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 75494949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).