N-(2,5-dimethoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide

C16H17N5O3S — CID 51048688

IUPACN-(2,5-dimethoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2c(-n3cnnn3)sc(C)c2C)c1
InChIInChI=1S/C16H17N5O3S/c1-9-10(2)25-16(21-8-17-19-20-21)14(9)15(22)18-12-7-11(23-3)5-6-13(12)24-4/h5-8H,1-4H3,(H,18,22)
InChIKeyPSPKCZWBHIXHLX-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.61
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide

N-(2,5-dimethoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide (PubChem CID 51048688) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
PubChem CID51048688
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC NameN-(2,5-dimethoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2c(-n3cnnn3)sc(C)c2C)c1
InChIInChI=1S/C16H17N5O3S/c1-9-10(2)25-16(21-8-17-19-20-21)14(9)15(22)18-12-7-11(23-3)5-6-13(12)24-4/h5-8H,1-4H3,(H,18,22)
InChIKeyPSPKCZWBHIXHLX-UHFFFAOYSA-N
XLogP2.61
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide (CID 51048688) is N-(2,5-dimethoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide is COc1ccc(OC)c(NC(=O)c2c(-n3cnnn3)sc(C)c2C)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide?
The InChIKey is PSPKCZWBHIXHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c1-9-10(2)25-16(21-8-17-19-20-21)14(9)15(22)18-12-7-11(23-3)5-6-13(12)24-4/h5-8H,1-4H3,(H,18,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide?
N-(2,5-dimethoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide is sourced from PubChem (CID 51048688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).