N-(3,4-diethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C14H19N5O3S — CID 8021977

IUPACN-(3,4-diethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2nnnn2C)cc1OCC
InChIInChI=1S/C14H19N5O3S/c1-4-21-11-7-6-10(8-12(11)22-5-2)15-13(20)9-23-14-16-17-18-19(14)3/h6-8H,4-5,9H2,1-3H3,(H,15,20)
InChIKeyOIPBRAIJLOAWHW-UHFFFAOYSA-N
MW337.41 g/mol
LogP1.74
Rot. Bonds8

About N-(3,4-diethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(3,4-diethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 8021977) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID8021977
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC NameN-(3,4-diethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2nnnn2C)cc1OCC
InChIInChI=1S/C14H19N5O3S/c1-4-21-11-7-6-10(8-12(11)22-5-2)15-13(20)9-23-14-16-17-18-19(14)3/h6-8H,4-5,9H2,1-3H3,(H,15,20)
InChIKeyOIPBRAIJLOAWHW-UHFFFAOYSA-N
XLogP1.74
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1-methyltetrazol-5-yl)sulfanyl-N-[7-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]naphthalen-2-yl]acetamide
CID 17325042
N-[3-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide
CID 650332
N-(3,4-diethoxyphenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8988171
N-(3,4-diethoxyphenyl)-2-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-ylsulfanyl)acetamide
CID 167846360
N-[4-(diethylamino)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 3615149
N-(2,3-dihydro-1H-inden-5-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2479441
N-(3-acetamido-4-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 24666834
N-[3-cyano-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 17324741
N-(3,4-diethoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2460546
2-(2,6-dichlorophenyl)sulfanyl-N-(3,4-diethoxyphenyl)acetamide
CID 7466998
N-(3,4-diethoxyphenyl)-2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 38377393
N-(3,4-diethoxyphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 9046452

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 8021977) is N-(3,4-diethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is CCOc1ccc(NC(=O)CSc2nnnn2C)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is OIPBRAIJLOAWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-4-21-11-7-6-10(8-12(11)22-5-2)15-13(20)9-23-14-16-17-18-19(14)3/h6-8H,4-5,9H2,1-3H3,(H,15,20).
What are the key properties of N-(3,4-diethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(3,4-diethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 337.41 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 8021977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).