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

C15H18ClN5O3S2 — CID 3888018

IUPAC2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
SMILESCCN(C(=O)CSc1nnnn1-c1ccc(Cl)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H18ClN5O3S2/c1-2-20(13-7-8-26(23,24)10-13)14(22)9-25-15-17-18-19-21(15)12-5-3-11(16)4-6-12/h3-6,13H,2,7-10H2,1H3
InChIKeyGJBWDLWOGXIFFL-UHFFFAOYSA-N
MW415.93 g/mol
LogP1.44
Rot. Bonds6

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

2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide (PubChem CID 3888018) has the molecular formula C15H18ClN5O3S2 and a molecular weight of 415.93 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
PubChem CID3888018
Molecular FormulaC15H18ClN5O3S2
Molecular Weight415.93 g/mol
Exact Mass415.05
IUPAC Name2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
SMILESCCN(C(=O)CSc1nnnn1-c1ccc(Cl)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H18ClN5O3S2/c1-2-20(13-7-8-26(23,24)10-13)14(22)9-25-15-17-18-19-21(15)12-5-3-11(16)4-6-12/h3-6,13H,2,7-10H2,1H3
InChIKeyGJBWDLWOGXIFFL-UHFFFAOYSA-N
XLogP1.44
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.93
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4374521
2-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]sulfanyl-N,N-diethylacetamide
CID 3228990
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 3903480
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 4313551
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 3268113
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 4006310
1-[2-[1-(4-Chlorophenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one
CID 7856848
2-[1-(4-Chlorophenyl)tetrazol-5-yl]sulfanyl-1-piperidin-1-ylethanone
CID 817369
2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-propan-2-ylacetamide
CID 6491281
2-[1-(4-Chlorophenyl)tetrazol-5-yl]sulfanyl-1-(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 16273785
2-(1-Phenyltetrazol-5-yl)sulfonyl-1-pyrrolidin-1-ylethanone
CID 172443177
2-(1-Phenyltetrazol-5-yl)sulfonyl-1-piperidin-1-ylethanone
CID 172446811

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide (CID 3888018) is 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide is CCN(C(=O)CSc1nnnn1-c1ccc(Cl)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The InChIKey is GJBWDLWOGXIFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O3S2/c1-2-20(13-7-8-26(23,24)10-13)14(22)9-25-15-17-18-19-21(15)12-5-3-11(16)4-6-12/h3-6,13H,2,7-10H2,1H3.
What are the key properties of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide has a molecular weight of 415.93 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide is sourced from PubChem (CID 3888018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).