N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

C14H19N3O3S — CID 74248920

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESO=C(CCc1n[nH]c2c1CCCC2)NC1C=CS(=O)(=O)C1
InChIInChI=1S/C14H19N3O3S/c18-14(15-10-7-8-21(19,20)9-10)6-5-13-11-3-1-2-4-12(11)16-17-13/h7-8,10H,1-6,9H2,(H,15,18)(H,16,17)
InChIKeyDCERDTUEYVQBPD-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.65
Rot. Bonds4

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (PubChem CID 74248920) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
PubChem CID74248920
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESO=C(CCc1n[nH]c2c1CCCC2)NC1C=CS(=O)(=O)C1
InChIInChI=1S/C14H19N3O3S/c18-14(15-10-7-8-21(19,20)9-10)6-5-13-11-3-1-2-4-12(11)16-17-13/h7-8,10H,1-6,9H2,(H,15,18)(H,16,17)
InChIKeyDCERDTUEYVQBPD-UHFFFAOYSA-N
XLogP0.65
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (CID 74248920) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is O=C(CCc1n[nH]c2c1CCCC2)NC1C=CS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The InChIKey is DCERDTUEYVQBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c18-14(15-10-7-8-21(19,20)9-10)6-5-13-11-3-1-2-4-12(11)16-17-13/h7-8,10H,1-6,9H2,(H,15,18)(H,16,17).
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide has a molecular weight of 309.39 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is sourced from PubChem (CID 74248920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).