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

C20H22N6O3 — CID 649082

IUPACN-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide
SMILESO=C(Cn1nnc(-c2ccccc2NC(=O)c2ccco2)n1)NC1CCCCC1
InChIInChI=1S/C20H22N6O3/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/h4-6,9-12,14H,1-3,7-8,13H2,(H,21,27)(H,22,28)
InChIKeyWSVGLRBNXBJKLR-UHFFFAOYSA-N
MW394.44 g/mol
LogP2.63
Rot. Bonds6

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

N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide (PubChem CID 649082) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide
PubChem CID649082
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC NameN-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide
SMILESO=C(Cn1nnc(-c2ccccc2NC(=O)c2ccco2)n1)NC1CCCCC1
InChIInChI=1S/C20H22N6O3/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/h4-6,9-12,14H,1-3,7-8,13H2,(H,21,27)(H,22,28)
InChIKeyWSVGLRBNXBJKLR-UHFFFAOYSA-N
XLogP2.63
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Furan-2-carboxylic acid (2-{2-[2-(4-methoxy-phenyl)-2-oxo-ethyl]-2H-tetrazol-5-yl}-phenyl)-amide
CID 656033
2-[5-(4-Ethoxy-phenyl)-tetrazol-2-yl]-N-furan-2-ylmethyl-acetamide
CID 644706
N-[2-(2-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-2H-tetrazol-5-yl)-phenyl]-4-methoxy-benzamide
CID 644789
2-[5-(4-butoxyphenyl)-2-tetrazolyl]-N-(2-furanylmethyl)acetamide
CID 644791
Furan-2-carboxylic acid [2-(2-phenylcarbamoylmethyl-2H-tetrazol-5-yl)-phenyl]-amide
CID 648033
2-Fluoro-N-[2-(2-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-2H-tetrazol-5-yl)-phenyl]-benzamide
CID 648374
N-(Benzylcarbamoyl-methyl)-N-(2,3-dimethyl-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 649774
N-tert-Butyl-2-((2-fluoro-phenyl)-{2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-acetyl}-amino)-2-furan-2-yl-acetamide
CID 649792
Furan-2-carboxylic acid (2-{2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-2H-tetrazol-5-yl}-phenyl)-amide
CID 651026
N-tert-Butyl-2-((3-fluoro-phenyl)-{2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-acetyl}-amino)-2-furan-2-yl-acetamide
CID 653521
N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]-5-tetrazolyl]phenyl]-2-furancarboxamide
CID 653728
Furan-2-carboxylic acid (2-{2-[(2-methoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-amide
CID 654743

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide (CID 649082) is N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide is O=C(Cn1nnc(-c2ccccc2NC(=O)c2ccco2)n1)NC1CCCCC1.
What is the InChIKey of N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide?
The InChIKey is WSVGLRBNXBJKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/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/h4-6,9-12,14H,1-3,7-8,13H2,(H,21,27)(H,22,28).
What are the key properties of N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide?
N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 2.63, 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-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 649082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).