N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C15H21N5O3S — CID 4879087

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCOc1ccc(CCN(C)C(=O)CSc2nnnn2C)cc1OC
InChIInChI=1S/C15H21N5O3S/c1-19(14(21)10-24-15-16-17-18-20(15)2)8-7-11-5-6-12(22-3)13(9-11)23-4/h5-6,9H,7-8,10H2,1-4H3
InChIKeyWOTFEDINZVURQJ-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.02
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 4879087) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID4879087
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCOc1ccc(CCN(C)C(=O)CSc2nnnn2C)cc1OC
InChIInChI=1S/C15H21N5O3S/c1-19(14(21)10-24-15-16-17-18-20(15)2)8-7-11-5-6-12(22-3)13(9-11)23-4/h5-6,9H,7-8,10H2,1-4H3
InChIKeyWOTFEDINZVURQJ-UHFFFAOYSA-N
XLogP1.02
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2630158
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 1081020
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(1-methyl-1H-tetrazol-5-yl)thio]acetamide
CID 972442
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2426503
Cambridge id 6964866
CID 2294624
N-Benzo[1,3]dioxol-5-ylmethyl-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 648292
2-{[2-(3,4-Dimethoxyphenyl)ethyl]imino}-3-methyl-1,3-thiazolidin-4-one
CID 1356516
N-(3,4-dimethoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride
CID 2975735
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4273859
(2Z)-3-benzyl-2-{[2-(3,4-dimethoxyphenyl)ethyl]imino}-1,3-thiazolidin-4-one
CID 6620582
2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 9141731
Butanamide, N-cyclohexyl-N-(2-(3,4-dimethoxyphenyl)ethyl)-4-((1-methyl-1H-tetrazol-5-yl)thio)-
CID 3062253

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 4879087) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide is COc1ccc(CCN(C)C(=O)CSc2nnnn2C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is WOTFEDINZVURQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-19(14(21)10-24-15-16-17-18-20(15)2)8-7-11-5-6-12(22-3)13(9-11)23-4/h5-6,9H,7-8,10H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 351.43 g/mol, XLogP of 1.02, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 4879087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).