N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

C17H19N5O3S — CID 651064

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESCOc1ccc(CCNC(=O)Cn2nnc(-c3cccs3)n2)cc1OC
InChIInChI=1S/C17H19N5O3S/c1-24-13-6-5-12(10-14(13)25-2)7-8-18-16(23)11-22-20-17(19-21-22)15-4-3-9-26-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,23)
InChIKeyMUZRXGRWLPNHJE-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.78
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (PubChem CID 651064) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
PubChem CID651064
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESCOc1ccc(CCNC(=O)Cn2nnc(-c3cccs3)n2)cc1OC
InChIInChI=1S/C17H19N5O3S/c1-24-13-6-5-12(10-14(13)25-2)7-8-18-16(23)11-22-20-17(19-21-22)15-4-3-9-26-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,23)
InChIKeyMUZRXGRWLPNHJE-UHFFFAOYSA-N
XLogP1.78
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 4880507
N-Cyclopentyl-2-({2-[5-(3,4-dimethoxy-phenyl)-tetrazol-2-yl]-acetyl}-thiophen-2-ylmethyl-amino)-propionamide
CID 649747
N-Benzo[1,3]dioxol-5-ylmethyl-N-[(3-methyl-butylcarbamoyl)-methyl]-2-(5-thiophen-2-yl-tetrazol-2-yl)-acetamide
CID 650873
2-[5-(3,4-Dimethoxy-phenyl)-tetrazol-2-yl]-N-[(3-methyl-butylcarbamoyl)-methyl]-N-thiophen-2-ylmethyl-acetamide
CID 653914
N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-[5-(2,3-dimethoxy-phenyl)-tetrazol-2-yl]-acetamide
CID 655665
N-Cyclopentylcarbamoylmethyl-N-(3-methoxy-benzyl)-2-(5-thiophen-2-yl-tetrazol-2-yl)-acetamide
CID 1143452
2-({2-[5-(3,4-Dimethoxy-phenyl)-tetrazol-2-yl]-acetyl}-thiophen-2-ylmethyl-amino)-N-(3-methyl-butyl)-propionamide
CID 3179384
N-Cyclopentyl-2-({2-[5-(3,4-dimethoxy-phenyl)-tetrazol-2-yl]-acetyl}-thiophen-2-ylmethyl-amino)-butyramide
CID 3179913
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(2-fluorophenyl)-2H-tetrazol-2-yl]acetamide
CID 1073158
2-[5-(3,4-Dimethoxyphenyl)-1,2,3,4-tetrazol-2-YL]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1373928
N-Cyclopentylcarbamoylmethyl-2-[5-(3,4-dimethoxy-phenyl)-tetrazol-2-yl]-N-thiophen-2-ylmethyl-acetamide
CID 649135
2-[5-(4-Benzyloxy-3-methoxy-phenyl)-tetrazol-2-yl]-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-acetamide
CID 652712

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (CID 651064) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is COc1ccc(CCNC(=O)Cn2nnc(-c3cccs3)n2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The InChIKey is MUZRXGRWLPNHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-24-13-6-5-12(10-14(13)25-2)7-8-18-16(23)11-22-20-17(19-21-22)15-4-3-9-26-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,23).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide has a molecular weight of 373.44 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 651064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).