N'-(3-methylbutanoyl)-4H-thieno[3,2-c]chromene-2-carbohydrazide

C17H18N2O3S — CID 24543025

IUPACN'-(3-methylbutanoyl)-4H-thieno[3,2-c]chromene-2-carbohydrazide
SMILESCC(C)CC(=O)NNC(=O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C17H18N2O3S/c1-10(2)7-15(20)18-19-17(21)14-8-11-9-22-13-6-4-3-5-12(13)16(11)23-14/h3-6,8,10H,7,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyWDPZSRRGMOVSDQ-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.11
Rot. Bonds3

About N'-(3-methylbutanoyl)-4H-thieno[3,2-c]chromene-2-carbohydrazide

N'-(3-methylbutanoyl)-4H-thieno[3,2-c]chromene-2-carbohydrazide (PubChem CID 24543025) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N'-(3-methylbutanoyl)-4H-thieno[3,2-c]chromene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-methylbutanoyl)-4H-thieno[3,2-c]chromene-2-carbohydrazide
PubChem CID24543025
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN'-(3-methylbutanoyl)-4H-thieno[3,2-c]chromene-2-carbohydrazide
SMILESCC(C)CC(=O)NNC(=O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C17H18N2O3S/c1-10(2)7-15(20)18-19-17(21)14-8-11-9-22-13-6-4-3-5-12(13)16(11)23-14/h3-6,8,10H,7,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyWDPZSRRGMOVSDQ-UHFFFAOYSA-N
XLogP3.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-methylbutanoyl)-4H-thieno[3,2-c]chromene-2-carbohydrazide?
The IUPAC name of N'-(3-methylbutanoyl)-4H-thieno[3,2-c]chromene-2-carbohydrazide (CID 24543025) is N'-(3-methylbutanoyl)-4H-thieno[3,2-c]chromene-2-carbohydrazide.
What is the SMILES notation for N'-(3-methylbutanoyl)-4H-thieno[3,2-c]chromene-2-carbohydrazide?
The canonical SMILES for N'-(3-methylbutanoyl)-4H-thieno[3,2-c]chromene-2-carbohydrazide is CC(C)CC(=O)NNC(=O)c1cc2c(s1)-c1ccccc1OC2.
What is the InChIKey of N'-(3-methylbutanoyl)-4H-thieno[3,2-c]chromene-2-carbohydrazide?
The InChIKey is WDPZSRRGMOVSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-10(2)7-15(20)18-19-17(21)14-8-11-9-22-13-6-4-3-5-12(13)16(11)23-14/h3-6,8,10H,7,9H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(3-methylbutanoyl)-4H-thieno[3,2-c]chromene-2-carbohydrazide?
N'-(3-methylbutanoyl)-4H-thieno[3,2-c]chromene-2-carbohydrazide has a molecular weight of 330.41 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylbutanoyl)-4H-thieno[3,2-c]chromene-2-carbohydrazide is sourced from PubChem (CID 24543025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).