N-(4-oxothieno[3,4-c]chromen-3-yl)cyclohexanecarboxamide

C18H17NO3S — CID 1247751

IUPACN-(4-oxothieno[3,4-c]chromen-3-yl)cyclohexanecarboxamide
SMILESO=C(Nc1scc2c1c(=O)oc1ccccc12)C1CCCCC1
InChIInChI=1S/C18H17NO3S/c20-16(11-6-2-1-3-7-11)19-17-15-13(10-23-17)12-8-4-5-9-14(12)22-18(15)21/h4-5,8-11H,1-3,6-7H2,(H,19,20)
InChIKeyHZQMHDPBTJRWSO-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.53
Rot. Bonds2

About N-(4-oxothieno[3,4-c]chromen-3-yl)cyclohexanecarboxamide

N-(4-oxothieno[3,4-c]chromen-3-yl)cyclohexanecarboxamide (PubChem CID 1247751) has the molecular formula C18H17NO3S and a molecular weight of 327.40 g/mol. Its IUPAC name is N-(4-oxothieno[3,4-c]chromen-3-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-oxothieno[3,4-c]chromen-3-yl)cyclohexanecarboxamide
PubChem CID1247751
Molecular FormulaC18H17NO3S
Molecular Weight327.40 g/mol
Exact Mass327.09
IUPAC NameN-(4-oxothieno[3,4-c]chromen-3-yl)cyclohexanecarboxamide
SMILESO=C(Nc1scc2c1c(=O)oc1ccccc12)C1CCCCC1
InChIInChI=1S/C18H17NO3S/c20-16(11-6-2-1-3-7-11)19-17-15-13(10-23-17)12-8-4-5-9-14(12)22-18(15)21/h4-5,8-11H,1-3,6-7H2,(H,19,20)
InChIKeyHZQMHDPBTJRWSO-UHFFFAOYSA-N
XLogP4.53
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxothieno[3,4-c]chromen-3-yl)cyclohexanecarboxamide?
The IUPAC name of N-(4-oxothieno[3,4-c]chromen-3-yl)cyclohexanecarboxamide (CID 1247751) is N-(4-oxothieno[3,4-c]chromen-3-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4-oxothieno[3,4-c]chromen-3-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(4-oxothieno[3,4-c]chromen-3-yl)cyclohexanecarboxamide is O=C(Nc1scc2c1c(=O)oc1ccccc12)C1CCCCC1.
What is the InChIKey of N-(4-oxothieno[3,4-c]chromen-3-yl)cyclohexanecarboxamide?
The InChIKey is HZQMHDPBTJRWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c20-16(11-6-2-1-3-7-11)19-17-15-13(10-23-17)12-8-4-5-9-14(12)22-18(15)21/h4-5,8-11H,1-3,6-7H2,(H,19,20).
What are the key properties of N-(4-oxothieno[3,4-c]chromen-3-yl)cyclohexanecarboxamide?
N-(4-oxothieno[3,4-c]chromen-3-yl)cyclohexanecarboxamide has a molecular weight of 327.40 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxothieno[3,4-c]chromen-3-yl)cyclohexanecarboxamide is sourced from PubChem (CID 1247751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).