N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide

C21H18N6O3S — CID 656151

IUPACN-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2cccs2)n1
InChIInChI=1S/C21H18N6O3S/c1-30-17-10-5-4-9-16(17)22-19(28)13-27-25-20(24-26-27)14-7-2-3-8-15(14)23-21(29)18-11-6-12-31-18/h2-12H,13H2,1H3,(H,22,28)(H,23,29)
InChIKeyUIYVEEAUIGMGBQ-UHFFFAOYSA-N
MW434.48 g/mol
LogP3.30
Rot. Bonds7

About N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide

N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide (PubChem CID 656151) has the molecular formula C21H18N6O3S and a molecular weight of 434.48 g/mol. Its IUPAC name is N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide
PubChem CID656151
Molecular FormulaC21H18N6O3S
Molecular Weight434.48 g/mol
Exact Mass434.12
IUPAC NameN-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2cccs2)n1
InChIInChI=1S/C21H18N6O3S/c1-30-17-10-5-4-9-16(17)22-19(28)13-27-25-20(24-26-27)14-7-2-3-8-15(14)23-21(29)18-11-6-12-31-18/h2-12H,13H2,1H3,(H,22,28)(H,23,29)
InChIKeyUIYVEEAUIGMGBQ-UHFFFAOYSA-N
XLogP3.30
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Thiophene-2-carboxylic acid (2-{2-[(4-methoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-amide
CID 651595
N-[2-[2-[2-(4-ethoxyanilino)-2-oxoethyl]-5-tetrazolyl]phenyl]-2-thiophenecarboxamide
CID 1081809
N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]thiophene-2-carboxamide
CID 145974893
1-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-2-(5-thiophen-2-yl-tetrazol-2-yl)-ethanone
CID 646274
N-(2-methoxy-5-methylphenyl)-2-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4022735
N-benzyl-2-(2-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide
CID 3190188
N-(2-Methoxyphenyl)-2-{4-[5-(thiophen-3-YL)-1,3,4-oxadiazol-2-YL]piperidin-1-YL}acetamide
CID 71793536
4-fluoro-N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1463767
3-fluoro-N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1463768
2-fluoro-N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1463769
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 1143934
N-tert-butyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxyanilino)-2-thiophen-2-ylacetamide
CID 3179217

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide (CID 656151) is N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide is COc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2cccs2)n1.
What is the InChIKey of N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is UIYVEEAUIGMGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O3S/c1-30-17-10-5-4-9-16(17)22-19(28)13-27-25-20(24-26-27)14-7-2-3-8-15(14)23-21(29)18-11-6-12-31-18/h2-12H,13H2,1H3,(H,22,28)(H,23,29).
What are the key properties of N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide?
N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 434.48 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 656151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).