N-(cyclopenten-1-yl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide

C19H25N5OS — CID 9380107

IUPACN-(cyclopenten-1-yl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide
SMILESCCCN(C(=O)CSc1nnnn1-c1c(C)cccc1C)C1=CCCC1
InChIInChI=1S/C19H25N5OS/c1-4-12-23(16-10-5-6-11-16)17(25)13-26-19-20-21-22-24(19)18-14(2)8-7-9-15(18)3/h7-10H,4-6,11-13H2,1-3H3
InChIKeyXBGDLXXBTROQAZ-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.68
Rot. Bonds7

About N-(cyclopenten-1-yl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide

N-(cyclopenten-1-yl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide (PubChem CID 9380107) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is N-(cyclopenten-1-yl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide.

Molecular Properties

Compound NameN-(cyclopenten-1-yl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide
PubChem CID9380107
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC NameN-(cyclopenten-1-yl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide
SMILESCCCN(C(=O)CSc1nnnn1-c1c(C)cccc1C)C1=CCCC1
InChIInChI=1S/C19H25N5OS/c1-4-12-23(16-10-5-6-11-16)17(25)13-26-19-20-21-22-24(19)18-14(2)8-7-9-15(18)3/h7-10H,4-6,11-13H2,1-3H3
InChIKeyXBGDLXXBTROQAZ-UHFFFAOYSA-N
XLogP3.68
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopenten-1-yl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide
CID 8682505
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 8916923
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 7532918
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide
CID 7660892
N-(cyclopenten-1-yl)-2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide
CID 135623488
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-propan-2-ylacetamide
CID 7660881
5-butylsulfanyl-1-(2,6-dimethylphenyl)tetrazole
CID 78814972
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 8916937
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 7532777
N-[(1S)-1-cyclopropylethyl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8917176
N-cyclopropyl-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 8916913
2-chloro-N-(cyclopenten-1-yl)-N-propylacetamide
CID 4962153

Frequently Asked Questions

What is the IUPAC name of N-(cyclopenten-1-yl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide?
The IUPAC name of N-(cyclopenten-1-yl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide (CID 9380107) is N-(cyclopenten-1-yl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide.
What is the SMILES notation for N-(cyclopenten-1-yl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide?
The canonical SMILES for N-(cyclopenten-1-yl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide is CCCN(C(=O)CSc1nnnn1-c1c(C)cccc1C)C1=CCCC1.
What is the InChIKey of N-(cyclopenten-1-yl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide?
The InChIKey is XBGDLXXBTROQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c1-4-12-23(16-10-5-6-11-16)17(25)13-26-19-20-21-22-24(19)18-14(2)8-7-9-15(18)3/h7-10H,4-6,11-13H2,1-3H3.
What are the key properties of N-(cyclopenten-1-yl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide?
N-(cyclopenten-1-yl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide has a molecular weight of 371.51 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopenten-1-yl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide is sourced from PubChem (CID 9380107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).