2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide

C15H18ClN5O3S — CID 4833754

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
SMILESCCN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H18ClN5O3S/c1-2-20(13-7-8-25(23,24)10-13)14(22)9-21-18-15(17-19-21)11-3-5-12(16)6-4-11/h3-6,13H,2,7-10H2,1H3
InChIKeySKOVPMWIQOIKEN-UHFFFAOYSA-N
MW383.86 g/mol
LogP1.03
Rot. Bonds5

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide (PubChem CID 4833754) has the molecular formula C15H18ClN5O3S and a molecular weight of 383.86 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
PubChem CID4833754
Molecular FormulaC15H18ClN5O3S
Molecular Weight383.86 g/mol
Exact Mass383.08
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
SMILESCCN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H18ClN5O3S/c1-2-20(13-7-8-25(23,24)10-13)14(22)9-21-18-15(17-19-21)11-3-5-12(16)6-4-11/h3-6,13H,2,7-10H2,1H3
InChIKeySKOVPMWIQOIKEN-UHFFFAOYSA-N
XLogP1.03
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide (CID 4833754) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide is CCN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The InChIKey is SKOVPMWIQOIKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O3S/c1-2-20(13-7-8-25(23,24)10-13)14(22)9-21-18-15(17-19-21)11-3-5-12(16)6-4-11/h3-6,13H,2,7-10H2,1H3.
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide has a molecular weight of 383.86 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide is sourced from PubChem (CID 4833754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).