N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-phenylethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

C22H22N6O3S — CID 649663

IUPACN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-phenylethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESO=C(CN(CCc1ccccc1)C(=O)Cn1nnc(-c2cccs2)n1)NCc1ccco1
InChIInChI=1S/C22H22N6O3S/c29-20(23-14-18-8-4-12-31-18)15-27(11-10-17-6-2-1-3-7-17)21(30)16-28-25-22(24-26-28)19-9-5-13-32-19/h1-9,12-13H,10-11,14-16H2,(H,23,29)
InChIKeyCDYJCCRLVFRYOS-UHFFFAOYSA-N
MW450.52 g/mol
LogP2.38
Rot. Bonds10

About N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-phenylethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-phenylethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (PubChem CID 649663) has the molecular formula C22H22N6O3S and a molecular weight of 450.52 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-phenylethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-phenylethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
PubChem CID649663
Molecular FormulaC22H22N6O3S
Molecular Weight450.52 g/mol
Exact Mass450.15
IUPAC NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-phenylethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESO=C(CN(CCc1ccccc1)C(=O)Cn1nnc(-c2cccs2)n1)NCc1ccco1
InChIInChI=1S/C22H22N6O3S/c29-20(23-14-18-8-4-12-31-18)15-27(11-10-17-6-2-1-3-7-17)21(30)16-28-25-22(24-26-28)19-9-5-13-32-19/h1-9,12-13H,10-11,14-16H2,(H,23,29)
InChIKeyCDYJCCRLVFRYOS-UHFFFAOYSA-N
XLogP2.38
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-furylmethyl)-2-[5-(2-thienyl)-2H-tetrazol-2-yl]acetamide
CID 862079
2-[5-(4-Ethoxy-phenyl)-tetrazol-2-yl]-N-furan-2-ylmethyl-acetamide
CID 644706
2-[5-(4-butoxyphenyl)-2-tetrazolyl]-N-(2-furanylmethyl)acetamide
CID 644791
Furan-2-yl-{4-[phenyl-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazin-1-yl}-methanone
CID 646537
Benzyl-[(1-tert-butyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-furan-2-ylmethyl-amine
CID 646725
N-Cyclopentyl-2-furan-2-yl-2-({2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-thiophen-2-ylmethyl-amino)-acetamide
CID 646873
N-Cyclopentyl-2-{furan-2-ylmethyl-[2-(5-thiophen-2-yl-tetrazol-2-yl)-acetyl]-amino}-2-thiophen-2-yl-acetamide
CID 647158
N-tert-butyl-2-(2-furanyl)-2-[[2-[5-(5-methyl-2-furanyl)-2-tetrazolyl]-1-oxoethyl]-(thiophen-2-ylmethyl)amino]acetamide
CID 648700
[1-(1-Benzyl-1H-tetrazol-5-yl)-2-methyl-propyl]-furan-2-ylmethyl-thiophen-2-ylmethyl-amine
CID 653441
N-(Benzylcarbamoyl-methyl)-N-furan-2-ylmethyl-2-(5-thiophen-2-yl-tetrazol-2-yl)-acetamide
CID 653806
N-Cyclohexyl-2-furan-2-yl-2-({2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-thiophen-2-ylmethyl-amino)-acetamide
CID 3174912
N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)-2-tetrazolyl]-1-oxoethyl]-(2-furanylmethyl)amino]hexanamide
CID 3180044

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-phenylethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-phenylethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (CID 649663) is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-phenylethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-phenylethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-phenylethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is O=C(CN(CCc1ccccc1)C(=O)Cn1nnc(-c2cccs2)n1)NCc1ccco1.
What is the InChIKey of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-phenylethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The InChIKey is CDYJCCRLVFRYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3S/c29-20(23-14-18-8-4-12-31-18)15-27(11-10-17-6-2-1-3-7-17)21(30)16-28-25-22(24-26-28)19-9-5-13-32-19/h1-9,12-13H,10-11,14-16H2,(H,23,29).
What are the key properties of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-phenylethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-phenylethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide has a molecular weight of 450.52 g/mol, XLogP of 2.38, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-phenylethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 649663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).