N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

C17H19N5O3S — CID 51207708

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)Cn2nnc(-c3cccs3)n2)c1
InChIInChI=1S/C17H19N5O3S/c1-11(13-9-12(24-2)6-7-14(13)25-3)18-16(23)10-22-20-17(19-21-22)15-5-4-8-26-15/h4-9,11H,10H2,1-3H3,(H,18,23)
InChIKeyOMVGFALJZMVQFD-UHFFFAOYSA-N
MW373.44 g/mol
LogP2.30
Rot. Bonds7

About N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (PubChem CID 51207708) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
PubChem CID51207708
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)Cn2nnc(-c3cccs3)n2)c1
InChIInChI=1S/C17H19N5O3S/c1-11(13-9-12(24-2)6-7-14(13)25-3)18-16(23)10-22-20-17(19-21-22)15-5-4-8-26-15/h4-9,11H,10H2,1-3H3,(H,18,23)
InChIKeyOMVGFALJZMVQFD-UHFFFAOYSA-N
XLogP2.30
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 46653479
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 55412784
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 8543451
propan-2-yl 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 862090
N-(3-propan-2-ylphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 78806265
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 17469446
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 9477807
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 41367206
2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 1465884
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9017569
1-[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 29089861
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (CID 51207708) is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is COc1ccc(OC)c(C(C)NC(=O)Cn2nnc(-c3cccs3)n2)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The InChIKey is OMVGFALJZMVQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-11(13-9-12(24-2)6-7-14(13)25-3)18-16(23)10-22-20-17(19-21-22)15-5-4-8-26-15/h4-9,11H,10H2,1-3H3,(H,18,23).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide has a molecular weight of 373.44 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 51207708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).