N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

C14H17N5O4S2 — CID 43037168

IUPACN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESO=C(Cn1nnn(-c2cccs2)c1=O)N(C1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H17N5O4S2/c20-12(18(10-3-4-10)11-5-7-25(22,23)9-11)8-17-14(21)19(16-15-17)13-2-1-6-24-13/h1-2,6,10-11H,3-5,7-9H2
InChIKeyQOJJXJVXXVMMSO-UHFFFAOYSA-N
MW383.46 g/mol
LogP-0.33
Rot. Bonds5

About N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (PubChem CID 43037168) has the molecular formula C14H17N5O4S2 and a molecular weight of 383.46 g/mol. Its IUPAC name is N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
PubChem CID43037168
Molecular FormulaC14H17N5O4S2
Molecular Weight383.46 g/mol
Exact Mass383.07
IUPAC NameN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESO=C(Cn1nnn(-c2cccs2)c1=O)N(C1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H17N5O4S2/c20-12(18(10-3-4-10)11-5-7-25(22,23)9-11)8-17-14(21)19(16-15-17)13-2-1-6-24-13/h1-2,6,10-11H,3-5,7-9H2
InChIKeyQOJJXJVXXVMMSO-UHFFFAOYSA-N
XLogP-0.33
TPSA107.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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CID 7697526
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 36545692
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CID 7702610
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-phenylacetamide
CID 41132200
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CID 55501447
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CID 42897826
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CID 75426289
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 51727046
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 18131308
N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 41210926
2-N,5-N-dicyclopropyl-2-N,5-N-bis(1,1-dioxothiolan-3-yl)thiophene-2,5-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (CID 43037168) is N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is O=C(Cn1nnn(-c2cccs2)c1=O)N(C1CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The InChIKey is QOJJXJVXXVMMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4S2/c20-12(18(10-3-4-10)11-5-7-25(22,23)9-11)8-17-14(21)19(16-15-17)13-2-1-6-24-13/h1-2,6,10-11H,3-5,7-9H2.
What are the key properties of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide has a molecular weight of 383.46 g/mol, XLogP of -0.33, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is sourced from PubChem (CID 43037168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).