N-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

C21H24N6O4S — CID 3190220

IUPACN-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESCOc1ccccc1N(CC(=O)NCC1CCCO1)C(=O)Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C21H24N6O4S/c1-30-17-8-3-2-7-16(17)26(13-19(28)22-12-15-6-4-10-31-15)20(29)14-27-24-21(23-25-27)18-9-5-11-32-18/h2-3,5,7-9,11,15H,4,6,10,12-14H2,1H3,(H,22,28)
InChIKeyQVUCQAPXNPTARQ-UHFFFAOYSA-N
MW456.53 g/mol
LogP1.74
Rot. Bonds9

About N-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

N-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (PubChem CID 3190220) has the molecular formula C21H24N6O4S and a molecular weight of 456.53 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
PubChem CID3190220
Molecular FormulaC21H24N6O4S
Molecular Weight456.53 g/mol
Exact Mass456.16
IUPAC NameN-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESCOc1ccccc1N(CC(=O)NCC1CCCO1)C(=O)Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C21H24N6O4S/c1-30-17-8-3-2-7-16(17)26(13-19(28)22-12-15-6-4-10-31-15)20(29)14-27-24-21(23-25-27)18-9-5-11-32-18/h2-3,5,7-9,11,15H,4,6,10,12-14H2,1H3,(H,22,28)
InChIKeyQVUCQAPXNPTARQ-UHFFFAOYSA-N
XLogP1.74
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-2-(5-thiophen-2-yl-tetrazol-2-yl)-ethanone
CID 646380
2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide
CID 3180898
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-2-(5-thiophen-2-yl-tetrazol-2-yl)-acetamide
CID 3190221
1-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-2-(5-thiophen-2-yl-tetrazol-2-yl)-ethanone
CID 646274
N-benzyl-2-(2-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide
CID 3190188
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
N-cyclopentyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-2-thiophen-2-ylacetamide
CID 3180431
N-cyclohexyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxyanilino)-2-thiophen-2-ylacetamide
CID 3180700
2-(2-fluoro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 3190230
N-[2-propoxy-5-(trifluoromethyl)phenyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 8422519
[2-[2-(Difluoromethoxy)anilino]-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 8542063

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The IUPAC name of N-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (CID 3190220) is N-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is COc1ccccc1N(CC(=O)NCC1CCCO1)C(=O)Cn1nnc(-c2cccs2)n1.
What is the InChIKey of N-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The InChIKey is QVUCQAPXNPTARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O4S/c1-30-17-8-3-2-7-16(17)26(13-19(28)22-12-15-6-4-10-31-15)20(29)14-27-24-21(23-25-27)18-9-5-11-32-18/h2-3,5,7-9,11,15H,4,6,10,12-14H2,1H3,(H,22,28).
What are the key properties of N-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
N-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide has a molecular weight of 456.53 g/mol, XLogP of 1.74, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 3190220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).