2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethyl-2-phenylacetamide

C21H25N5OS — CID 17431271

IUPAC2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(Sc1nnnn1-c1ccc(C)cc1C)c1ccccc1
InChIInChI=1S/C21H25N5OS/c1-5-25(6-2)20(27)19(17-10-8-7-9-11-17)28-21-22-23-24-26(21)18-13-12-15(3)14-16(18)4/h7-14,19H,5-6H2,1-4H3
InChIKeyVBAJSZXOTLNPDQ-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.98
Rot. Bonds7

About 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethyl-2-phenylacetamide

2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethyl-2-phenylacetamide (PubChem CID 17431271) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethyl-2-phenylacetamide
PubChem CID17431271
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC Name2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(Sc1nnnn1-c1ccc(C)cc1C)c1ccccc1
InChIInChI=1S/C21H25N5OS/c1-5-25(6-2)20(27)19(17-10-8-7-9-11-17)28-21-22-23-24-26(21)18-13-12-15(3)14-16(18)4/h7-14,19H,5-6H2,1-4H3
InChIKeyVBAJSZXOTLNPDQ-UHFFFAOYSA-N
XLogP3.98
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-cyclopropyl-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 9036780
N,N-diethyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 60598100
N-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetyl]propanamide
CID 91565903
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide
CID 51234652
(2S)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(methylcarbamoyl)-2-phenylacetamide
CID 7878125
(2R)-N-cyclopropyl-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 9036976
1-(2,4-dimethylphenyl)-5-[(2S)-2-methylbutyl]sulfanyltetrazole
CID 97222986
(2S)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7352243
1-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-1-phenylpropan-2-one
CID 91248510
N,N-diethyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 24601544
N'-[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
CID 2485464
2-(1-ethyltetrazol-5-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide
CID 24520390

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethyl-2-phenylacetamide?
The IUPAC name of 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethyl-2-phenylacetamide (CID 17431271) is 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethyl-2-phenylacetamide.
What is the SMILES notation for 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethyl-2-phenylacetamide?
The canonical SMILES for 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethyl-2-phenylacetamide is CCN(CC)C(=O)C(Sc1nnnn1-c1ccc(C)cc1C)c1ccccc1.
What is the InChIKey of 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethyl-2-phenylacetamide?
The InChIKey is VBAJSZXOTLNPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-5-25(6-2)20(27)19(17-10-8-7-9-11-17)28-21-22-23-24-26(21)18-13-12-15(3)14-16(18)4/h7-14,19H,5-6H2,1-4H3.
What are the key properties of 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethyl-2-phenylacetamide?
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethyl-2-phenylacetamide has a molecular weight of 395.53 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethyl-2-phenylacetamide is sourced from PubChem (CID 17431271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).