N,N-diethyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide

C14H19N5OS — CID 60598100

IUPACN,N-diethyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(Sc1nnnn1C)c1ccccc1
InChIInChI=1S/C14H19N5OS/c1-4-19(5-2)13(20)12(11-9-7-6-8-10-11)21-14-15-16-17-18(14)3/h6-10,12H,4-5H2,1-3H3
InChIKeyVEEZMXMFEUFZSF-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.91
Rot. Bonds6

About N,N-diethyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide

N,N-diethyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide (PubChem CID 60598100) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is N,N-diethyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
PubChem CID60598100
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC NameN,N-diethyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(Sc1nnnn1C)c1ccccc1
InChIInChI=1S/C14H19N5OS/c1-4-19(5-2)13(20)12(11-9-7-6-8-10-11)21-14-15-16-17-18(14)3/h6-10,12H,4-5H2,1-3H3
InChIKeyVEEZMXMFEUFZSF-UHFFFAOYSA-N
XLogP1.91
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 24601544
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethyl-2-phenylacetamide
CID 17431271
2-(1-ethyltetrazol-5-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide
CID 24520390
(2R)-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide
CID 2673778
N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetamide
CID 51209080
N,N-diethyl-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 51209016
N-cycloheptyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 132897669
N-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 134717169
(2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide
CID 8515312
N,N-diethyl-2-[[5-oxo-4-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 46825227
(2R)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide
CID 7365414
(2R)-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1R)-1-phenylbutyl]propanamide
CID 40751028

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
The IUPAC name of N,N-diethyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide (CID 60598100) is N,N-diethyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide.
What is the SMILES notation for N,N-diethyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
The canonical SMILES for N,N-diethyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide is CCN(CC)C(=O)C(Sc1nnnn1C)c1ccccc1.
What is the InChIKey of N,N-diethyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
The InChIKey is VEEZMXMFEUFZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-4-19(5-2)13(20)12(11-9-7-6-8-10-11)21-14-15-16-17-18(14)3/h6-10,12H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
N,N-diethyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide has a molecular weight of 305.41 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide is sourced from PubChem (CID 60598100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).