2-(1-ethyltetrazol-5-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide

C13H17N5OS — CID 24520390

IUPAC2-(1-ethyltetrazol-5-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide
SMILESCCn1nnnc1SC(C(=O)N(C)C)c1ccccc1
InChIInChI=1S/C13H17N5OS/c1-4-18-13(14-15-16-18)20-11(12(19)17(2)3)10-8-6-5-7-9-10/h5-9,11H,4H2,1-3H3
InChIKeyIQFRESMKRAUOKS-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.61
Rot. Bonds5

About 2-(1-ethyltetrazol-5-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide

2-(1-ethyltetrazol-5-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide (PubChem CID 24520390) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-(1-ethyltetrazol-5-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide.

Molecular Properties

Compound Name2-(1-ethyltetrazol-5-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide
PubChem CID24520390
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name2-(1-ethyltetrazol-5-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide
SMILESCCn1nnnc1SC(C(=O)N(C)C)c1ccccc1
InChIInChI=1S/C13H17N5OS/c1-4-18-13(14-15-16-18)20-11(12(19)17(2)3)10-8-6-5-7-9-10/h5-9,11H,4H2,1-3H3
InChIKeyIQFRESMKRAUOKS-UHFFFAOYSA-N
XLogP1.61
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 60598100
(2R)-2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 51574394
N,N-diethyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 24601544
2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-phenylpropyl)propanamide
CID 46641076
N,N-dimethyl-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 17429139
(2S)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 41096371
(2R)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 41096372
(2S)-2-[[5-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 27765782
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethyl-2-phenylacetamide
CID 17431271
(2R)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 40659791
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 51318159
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-2-phenyl-1-piperidin-1-ylethanone
CID 46673073

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide?
The IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide (CID 24520390) is 2-(1-ethyltetrazol-5-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide.
What is the SMILES notation for 2-(1-ethyltetrazol-5-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide?
The canonical SMILES for 2-(1-ethyltetrazol-5-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide is CCn1nnnc1SC(C(=O)N(C)C)c1ccccc1.
What is the InChIKey of 2-(1-ethyltetrazol-5-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide?
The InChIKey is IQFRESMKRAUOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-4-18-13(14-15-16-18)20-11(12(19)17(2)3)10-8-6-5-7-9-10/h5-9,11H,4H2,1-3H3.
What are the key properties of 2-(1-ethyltetrazol-5-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide?
2-(1-ethyltetrazol-5-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide has a molecular weight of 291.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyltetrazol-5-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide is sourced from PubChem (CID 24520390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).