N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]acetamide

C14H24N6O4S2 — CID 24523214

IUPACN-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]acetamide
SMILESCCN(CC(=O)NC1CCS(=O)(=O)C1)C(=O)CSc1nnnn1C(C)C
InChIInChI=1S/C14H24N6O4S2/c1-4-19(7-12(21)15-11-5-6-26(23,24)9-11)13(22)8-25-14-16-17-18-20(14)10(2)3/h10-11H,4-9H2,1-3H3,(H,15,21)
InChIKeyUGHDEGFZMKNWJX-UHFFFAOYSA-N
MW404.52 g/mol
LogP-0.50
Rot. Bonds8

About N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]acetamide

N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]acetamide (PubChem CID 24523214) has the molecular formula C14H24N6O4S2 and a molecular weight of 404.52 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]acetamide
PubChem CID24523214
Molecular FormulaC14H24N6O4S2
Molecular Weight404.52 g/mol
Exact Mass404.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]acetamide
SMILESCCN(CC(=O)NC1CCS(=O)(=O)C1)C(=O)CSc1nnnn1C(C)C
InChIInChI=1S/C14H24N6O4S2/c1-4-19(7-12(21)15-11-5-6-26(23,24)9-11)13(22)8-25-14-16-17-18-20(14)10(2)3/h10-11H,4-9H2,1-3H3,(H,15,21)
InChIKeyUGHDEGFZMKNWJX-UHFFFAOYSA-N
XLogP-0.50
TPSA127.15 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 16318090
N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide
CID 4839537
N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanyl-N-methylacetamide
CID 16309119
N-(1,1-Dioxidotetrahydrothiophen-3-yl)-N-ethyl-2-((1-methyl-1H-tetrazol-5-yl)thio)acetamide
CID 16317486
N-[(1,1-dioxothiolan-3-yl)carbamoyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 16290142
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide
CID 2489934
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide
CID 6599615
N-[(2R)-butan-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8021972
N-[(2S)-butan-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8021973
N-[(2R)-butan-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8021974
N-[(2S)-butan-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8021975
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 9263975

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]acetamide (CID 24523214) is N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]acetamide is CCN(CC(=O)NC1CCS(=O)(=O)C1)C(=O)CSc1nnnn1C(C)C.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]acetamide?
The InChIKey is UGHDEGFZMKNWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O4S2/c1-4-19(7-12(21)15-11-5-6-26(23,24)9-11)13(22)8-25-14-16-17-18-20(14)10(2)3/h10-11H,4-9H2,1-3H3,(H,15,21).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]acetamide?
N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]acetamide has a molecular weight of 404.52 g/mol, XLogP of -0.50, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]acetamide is sourced from PubChem (CID 24523214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).