N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide

C21H18N6O3 — CID 1463792

IUPACN-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccco3)n2)cc1
InChIInChI=1S/C21H18N6O3/c1-14-8-10-15(11-9-14)22-19(28)13-27-25-20(24-26-27)16-5-2-3-6-17(16)23-21(29)18-7-4-12-30-18/h2-12H,13H2,1H3,(H,22,28)(H,23,29)
InChIKeyFBWRJCBEMHTTJI-UHFFFAOYSA-N
MW402.41 g/mol
LogP3.13
Rot. Bonds6

About N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide

N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide (PubChem CID 1463792) has the molecular formula C21H18N6O3 and a molecular weight of 402.41 g/mol. Its IUPAC name is N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide
PubChem CID1463792
Molecular FormulaC21H18N6O3
Molecular Weight402.41 g/mol
Exact Mass402.14
IUPAC NameN-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccco3)n2)cc1
InChIInChI=1S/C21H18N6O3/c1-14-8-10-15(11-9-14)22-19(28)13-27-25-20(24-26-27)16-5-2-3-6-17(16)23-21(29)18-7-4-12-30-18/h2-12H,13H2,1H3,(H,22,28)(H,23,29)
InChIKeyFBWRJCBEMHTTJI-UHFFFAOYSA-N
XLogP3.13
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]furan-2-carboxamide
CID 648033
4-methoxy-N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1463805
N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide
CID 1463796
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 43845168
N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide
CID 1455558
N-(2-methoxyphenyl)-4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzamide
CID 2511451
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 7465690
N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 3424569
N-(2-iodophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 1303765
[2-(furan-2-carbonylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 55460162
2-[5-(2-acetamidophenyl)tetrazol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 3192798
N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide
CID 1463834

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide (CID 1463792) is N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide is Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccco3)n2)cc1.
What is the InChIKey of N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide?
The InChIKey is FBWRJCBEMHTTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O3/c1-14-8-10-15(11-9-14)22-19(28)13-27-25-20(24-26-27)16-5-2-3-6-17(16)23-21(29)18-7-4-12-30-18/h2-12H,13H2,1H3,(H,22,28)(H,23,29).
What are the key properties of N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide?
N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide has a molecular weight of 402.41 g/mol, XLogP of 3.13, 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-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 1463792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).