N-[2-(4-methoxyphenyl)benzotriazol-5-yl]thiophene-2-carboxamide

C18H14N4O2S — CID 1141365

IUPACN-[2-(4-methoxyphenyl)benzotriazol-5-yl]thiophene-2-carboxamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)c4cccs4)cc3n2)cc1
InChIInChI=1S/C18H14N4O2S/c1-24-14-7-5-13(6-8-14)22-20-15-9-4-12(11-16(15)21-22)19-18(23)17-3-2-10-25-17/h2-11H,1H3,(H,19,23)
InChIKeyTXYYERSEJDAIKV-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.74
Rot. Bonds4

About N-[2-(4-methoxyphenyl)benzotriazol-5-yl]thiophene-2-carboxamide

N-[2-(4-methoxyphenyl)benzotriazol-5-yl]thiophene-2-carboxamide (PubChem CID 1141365) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)benzotriazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)benzotriazol-5-yl]thiophene-2-carboxamide
PubChem CID1141365
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC NameN-[2-(4-methoxyphenyl)benzotriazol-5-yl]thiophene-2-carboxamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)c4cccs4)cc3n2)cc1
InChIInChI=1S/C18H14N4O2S/c1-24-14-7-5-13(6-8-14)22-20-15-9-4-12(11-16(15)21-22)19-18(23)17-3-2-10-25-17/h2-11H,1H3,(H,19,23)
InChIKeyTXYYERSEJDAIKV-UHFFFAOYSA-N
XLogP3.74
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-iodo-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 1493062
N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-methylbenzamide
CID 1102702
N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]thiophene-2-carboxamide
CID 1341242
N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]thiophene-2-carboxamide
CID 1340943
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
CID 1363610
N-(4-methoxyphenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999156
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
CID 17092611
2,4-dimethoxy-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17274693
N-(2,3-dimethylquinoxalin-6-yl)thiophene-2-carboxamide
CID 110723801
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31518535
2-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide
CID 141419786
2-chloro-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-5-nitrobenzamide
CID 5217163

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)benzotriazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)benzotriazol-5-yl]thiophene-2-carboxamide (CID 1141365) is N-[2-(4-methoxyphenyl)benzotriazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)benzotriazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)benzotriazol-5-yl]thiophene-2-carboxamide is COc1ccc(-n2nc3ccc(NC(=O)c4cccs4)cc3n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)benzotriazol-5-yl]thiophene-2-carboxamide?
The InChIKey is TXYYERSEJDAIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c1-24-14-7-5-13(6-8-14)22-20-15-9-4-12(11-16(15)21-22)19-18(23)17-3-2-10-25-17/h2-11H,1H3,(H,19,23).
What are the key properties of N-[2-(4-methoxyphenyl)benzotriazol-5-yl]thiophene-2-carboxamide?
N-[2-(4-methoxyphenyl)benzotriazol-5-yl]thiophene-2-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)benzotriazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 1141365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).