N-(3-ethoxypropyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide

C17H19NO2S2 — CID 20889013

IUPACN-(3-ethoxypropyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCCOCCCNC(=O)c1cc2c(s1)-c1ccccc1SC2
InChIInChI=1S/C17H19NO2S2/c1-2-20-9-5-8-18-17(19)15-10-12-11-21-14-7-4-3-6-13(14)16(12)22-15/h3-4,6-7,10H,2,5,8-9,11H2,1H3,(H,18,19)
InChIKeyNVLIRBMRHWBBAB-UHFFFAOYSA-N
MW333.48 g/mol
LogP4.18
Rot. Bonds6

About N-(3-ethoxypropyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide

N-(3-ethoxypropyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide (PubChem CID 20889013) has the molecular formula C17H19NO2S2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
PubChem CID20889013
Molecular FormulaC17H19NO2S2
Molecular Weight333.48 g/mol
Exact Mass333.09
IUPAC NameN-(3-ethoxypropyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCCOCCCNC(=O)c1cc2c(s1)-c1ccccc1SC2
InChIInChI=1S/C17H19NO2S2/c1-2-20-9-5-8-18-17(19)15-10-12-11-21-14-7-4-3-6-13(14)16(12)22-15/h3-4,6-7,10H,2,5,8-9,11H2,1H3,(H,18,19)
InChIKeyNVLIRBMRHWBBAB-UHFFFAOYSA-N
XLogP4.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide (CID 20889013) is N-(3-ethoxypropyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide is CCOCCCNC(=O)c1cc2c(s1)-c1ccccc1SC2.
What is the InChIKey of N-(3-ethoxypropyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The InChIKey is NVLIRBMRHWBBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S2/c1-2-20-9-5-8-18-17(19)15-10-12-11-21-14-7-4-3-6-13(14)16(12)22-15/h3-4,6-7,10H,2,5,8-9,11H2,1H3,(H,18,19).
What are the key properties of N-(3-ethoxypropyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
N-(3-ethoxypropyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide is sourced from PubChem (CID 20889013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).