N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C14H17F2N5O3S — CID 9231076

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCOc1cc(CN(C)C(=O)CSc2nnnn2C)ccc1OC(F)F
InChIInChI=1S/C14H17F2N5O3S/c1-20(12(22)8-25-14-17-18-19-21(14)2)7-9-4-5-10(24-13(15)16)11(6-9)23-3/h4-6,13H,7-8H2,1-3H3
InChIKeySEHAOBSPFUAONB-UHFFFAOYSA-N
MW373.39 g/mol
LogP1.57
Rot. Bonds8

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 9231076) has the molecular formula C14H17F2N5O3S and a molecular weight of 373.39 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID9231076
Molecular FormulaC14H17F2N5O3S
Molecular Weight373.39 g/mol
Exact Mass373.10
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCOc1cc(CN(C)C(=O)CSc2nnnn2C)ccc1OC(F)F
InChIInChI=1S/C14H17F2N5O3S/c1-20(12(22)8-25-14-17-18-19-21(14)2)7-9-4-5-10(24-13(15)16)11(6-9)23-3/h4-6,13H,7-8H2,1-3H3
InChIKeySEHAOBSPFUAONB-UHFFFAOYSA-N
XLogP1.57
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 51.57
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
N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2108078
Cambridge id 6964866
CID 2294624
N-Benzo[1,3]dioxol-5-ylmethyl-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 648292
N-Benzo[1,3]dioxol-5-ylmethyl-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1452351
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
N-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzyl}-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanamine
CID 4718325
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4879087
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2401418

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 9231076) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide is COc1cc(CN(C)C(=O)CSc2nnnn2C)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is SEHAOBSPFUAONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N5O3S/c1-20(12(22)8-25-14-17-18-19-21(14)2)7-9-4-5-10(24-13(15)16)11(6-9)23-3/h4-6,13H,7-8H2,1-3H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 373.39 g/mol, XLogP of 1.57, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 9231076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).