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

C20H16N6O2S — CID 646707

IUPACN-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]thiophene-2-carboxamide
SMILESO=C(Cn1nnc(-c2ccccc2NC(=O)c2cccs2)n1)Nc1ccccc1
InChIInChI=1S/C20H16N6O2S/c27-18(21-14-7-2-1-3-8-14)13-26-24-19(23-25-26)15-9-4-5-10-16(15)22-20(28)17-11-6-12-29-17/h1-12H,13H2,(H,21,27)(H,22,28)
InChIKeyQIRXFCOKGJAYTH-UHFFFAOYSA-N
MW404.46 g/mol
LogP3.29
Rot. Bonds6

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

N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]thiophene-2-carboxamide (PubChem CID 646707) has the molecular formula C20H16N6O2S and a molecular weight of 404.46 g/mol. Its IUPAC name is N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]thiophene-2-carboxamide
PubChem CID646707
Molecular FormulaC20H16N6O2S
Molecular Weight404.46 g/mol
Exact Mass404.11
IUPAC NameN-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]thiophene-2-carboxamide
SMILESO=C(Cn1nnc(-c2ccccc2NC(=O)c2cccs2)n1)Nc1ccccc1
InChIInChI=1S/C20H16N6O2S/c27-18(21-14-7-2-1-3-8-14)13-26-24-19(23-25-26)15-9-4-5-10-16(15)22-20(28)17-11-6-12-29-17/h1-12H,13H2,(H,21,27)(H,22,28)
InChIKeyQIRXFCOKGJAYTH-UHFFFAOYSA-N
XLogP3.29
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]thiophene-2-carboxamide (CID 646707) is N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]thiophene-2-carboxamide is O=C(Cn1nnc(-c2ccccc2NC(=O)c2cccs2)n1)Nc1ccccc1.
What is the InChIKey of N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is QIRXFCOKGJAYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2S/c27-18(21-14-7-2-1-3-8-14)13-26-24-19(23-25-26)15-9-4-5-10-16(15)22-20(28)17-11-6-12-29-17/h1-12H,13H2,(H,21,27)(H,22,28).
What are the key properties of N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]thiophene-2-carboxamide?
N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 404.46 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 646707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).