N-benzyl-N-ethyl-4H-thieno[3,2-c]thiochromene-2-carboxamide

C21H19NOS2 — CID 20889018

IUPACN-benzyl-N-ethyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc2c(s1)-c1ccccc1SC2
InChIInChI=1S/C21H19NOS2/c1-2-22(13-15-8-4-3-5-9-15)21(23)19-12-16-14-24-18-11-7-6-10-17(18)20(16)25-19/h3-12H,2,13-14H2,1H3
InChIKeyUKQGAYAILHYPJB-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.68
Rot. Bonds4

About N-benzyl-N-ethyl-4H-thieno[3,2-c]thiochromene-2-carboxamide

N-benzyl-N-ethyl-4H-thieno[3,2-c]thiochromene-2-carboxamide (PubChem CID 20889018) has the molecular formula C21H19NOS2 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4H-thieno[3,2-c]thiochromene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
PubChem CID20889018
Molecular FormulaC21H19NOS2
Molecular Weight365.52 g/mol
Exact Mass365.09
IUPAC NameN-benzyl-N-ethyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc2c(s1)-c1ccccc1SC2
InChIInChI=1S/C21H19NOS2/c1-2-22(13-15-8-4-3-5-9-15)21(23)19-12-16-14-24-18-11-7-6-10-17(18)20(16)25-19/h3-12H,2,13-14H2,1H3
InChIKeyUKQGAYAILHYPJB-UHFFFAOYSA-N
XLogP5.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 46261423
ethane;ethyl 4H-thieno[3,2-c]thiochromene-2-carboxylate
CID 166137482
methyl 3-[benzyl(4H-thieno[3,2-c]chromene-2-carbonyl)amino]propanoate
CID 55513902
N-benzyl-N-ethyl-4-sulfanylthiophene-2-carboxamide
CID 107022163
7-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602895
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 34793458
N-benzyl-N-ethyl-1,3-thiazole-5-carboxamide
CID 110851810
8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxylic acid
CID 137369706
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N-benzyl-N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696304
5-(benzenesulfonyl)-N-benzyl-N-ethylthiophene-2-carboxamide
CID 53124472
N-(2-aminoethyl)-N-benzyl-4,5-dibromothiophene-2-carboxamide
CID 104859435

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-4H-thieno[3,2-c]thiochromene-2-carboxamide (CID 20889018) is N-benzyl-N-ethyl-4H-thieno[3,2-c]thiochromene-2-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-4H-thieno[3,2-c]thiochromene-2-carboxamide is CCN(Cc1ccccc1)C(=O)c1cc2c(s1)-c1ccccc1SC2.
What is the InChIKey of N-benzyl-N-ethyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The InChIKey is UKQGAYAILHYPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NOS2/c1-2-22(13-15-8-4-3-5-9-15)21(23)19-12-16-14-24-18-11-7-6-10-17(18)20(16)25-19/h3-12H,2,13-14H2,1H3.
What are the key properties of N-benzyl-N-ethyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
N-benzyl-N-ethyl-4H-thieno[3,2-c]thiochromene-2-carboxamide has a molecular weight of 365.52 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4H-thieno[3,2-c]thiochromene-2-carboxamide is sourced from PubChem (CID 20889018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).