N-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)thiophene-3-carboxamide

C21H26N4O2S — CID 164666335

IUPACN-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)thiophene-3-carboxamide
SMILESCCCCn1cc(C(C)(C)NC(=O)c2ccsc2-c2ccc(OC)cc2)nn1
InChIInChI=1S/C21H26N4O2S/c1-5-6-12-25-14-18(23-24-25)21(2,3)22-20(26)17-11-13-28-19(17)15-7-9-16(27-4)10-8-15/h7-11,13-14H,5-6,12H2,1-4H3,(H,22,26)
InChIKeyHIZWYVUPNBPXQB-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.48
Rot. Bonds8

About N-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)thiophene-3-carboxamide

N-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)thiophene-3-carboxamide (PubChem CID 164666335) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)thiophene-3-carboxamide
PubChem CID164666335
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC NameN-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)thiophene-3-carboxamide
SMILESCCCCn1cc(C(C)(C)NC(=O)c2ccsc2-c2ccc(OC)cc2)nn1
InChIInChI=1S/C21H26N4O2S/c1-5-6-12-25-14-18(23-24-25)21(2,3)22-20(26)17-11-13-28-19(17)15-7-9-16(27-4)10-8-15/h7-11,13-14H,5-6,12H2,1-4H3,(H,22,26)
InChIKeyHIZWYVUPNBPXQB-UHFFFAOYSA-N
XLogP4.48
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-cyanoethyl)-N-(4-methoxyphenyl)-3-(2-thienyl)-1H-pyrazole-4-carboxamide
CID 2529435
N-(2-(2H-1,2,3-triazol-2-yl)thiophen-3-yl)-2-(4-methoxyphenyl)acetamide
CID 46869677
5-(1-(2-(4-methoxybenzylamino)ethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 44418169
2-(4-Methoxyphenyl)-N-(2-(pyrazin-2-yl)thiophen-3-yl)acetamide
CID 52941286
[(2R,4S,5S)-5-(4-cyclopropyltriazol-1-yl)-4-hydroxy-2-(4-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 46902560
[(2R,4R,5R)-4-(4-cyclopropyltriazol-1-yl)-5-hydroxy-2-(4-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 46903074
[(2R,4R,5R)-5-(4-cyclopropyltriazol-1-yl)-4-hydroxy-2-(4-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 46903203
N-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-1-methylpyrazole-3-carboxamide
CID 71818589
2-[4-(1-benzothiophen-3-ylmethyl)triazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 90666544
N-(2-amino-5-thiophen-3-ylphenyl)-1-[2-(4-methoxyphenyl)ethyl]triazole-4-carboxamide
CID 172440571
N-(2-amino-5-thiophen-3-ylphenyl)-3-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]propanamide
CID 172440791
N-(2-amino-5-thiophen-2-ylphenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]benzamide
CID 172441257

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)thiophene-3-carboxamide?
The IUPAC name of N-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)thiophene-3-carboxamide (CID 164666335) is N-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)thiophene-3-carboxamide?
The canonical SMILES for N-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)thiophene-3-carboxamide is CCCCn1cc(C(C)(C)NC(=O)c2ccsc2-c2ccc(OC)cc2)nn1.
What is the InChIKey of N-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)thiophene-3-carboxamide?
The InChIKey is HIZWYVUPNBPXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-5-6-12-25-14-18(23-24-25)21(2,3)22-20(26)17-11-13-28-19(17)15-7-9-16(27-4)10-8-15/h7-11,13-14H,5-6,12H2,1-4H3,(H,22,26).
What are the key properties of N-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)thiophene-3-carboxamide?
N-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)thiophene-3-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 164666335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).