N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide

C20H27N5O3S — CID 7602054

IUPACN-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccccc1-c1nnn(CC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)n1
InChIInChI=1S/C20H27N5O3S/c1-15-7-5-6-10-18(15)20-21-23-24(22-20)13-19(26)25(16-8-3-2-4-9-16)17-11-12-29(27,28)14-17/h5-7,10,16-17H,2-4,8-9,11-14H2,1H3/t17-/m1/s1
InChIKeyHPUVVAJQOLECFB-QGZVFWFLSA-N
MW417.54 g/mol
LogP2.00
Rot. Bonds5

About N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide

N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 7602054) has the molecular formula C20H27N5O3S and a molecular weight of 417.54 g/mol. Its IUPAC name is N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID7602054
Molecular FormulaC20H27N5O3S
Molecular Weight417.54 g/mol
Exact Mass417.18
IUPAC NameN-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccccc1-c1nnn(CC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)n1
InChIInChI=1S/C20H27N5O3S/c1-15-7-5-6-10-18(15)20-21-23-24(22-20)13-19(26)25(16-8-3-2-4-9-16)17-11-12-29(27,28)14-17/h5-7,10,16-17H,2-4,8-9,11-14H2,1H3/t17-/m1/s1
InChIKeyHPUVVAJQOLECFB-QGZVFWFLSA-N
XLogP2.00
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide with MolForge

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Related Compounds

N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7702610
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 84602964
N-benzyl-2-[5-(2-bromophenyl)tetrazol-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2445984
N-benzyl-2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 40973100
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 2569152
N-ethyl-2-[5-(2-methylphenyl)tetrazol-2-yl]-N-phenylacetamide
CID 7634888
N-cyclopropyl-2-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7697526
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 51727046
N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
CID 41153713
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 8505968
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide
CID 9029659
N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8686003

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (CID 7602054) is N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is Cc1ccccc1-c1nnn(CC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)n1.
What is the InChIKey of N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is HPUVVAJQOLECFB-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H27N5O3S/c1-15-7-5-6-10-18(15)20-21-23-24(22-20)13-19(26)25(16-8-3-2-4-9-16)17-11-12-29(27,28)14-17/h5-7,10,16-17H,2-4,8-9,11-14H2,1H3/t17-/m1/s1.
What are the key properties of N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 417.54 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 7602054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).