N,N-diethyl-2-(thiophene-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C18H22N2O2S2 — CID 24901563

IUPACN,N-diethyl-2-(thiophene-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCCN(CC)C(=O)c1c(NC(=O)c2ccsc2)sc2c1CCCC2
InChIInChI=1S/C18H22N2O2S2/c1-3-20(4-2)18(22)15-13-7-5-6-8-14(13)24-17(15)19-16(21)12-9-10-23-11-12/h9-11H,3-8H2,1-2H3,(H,19,21)
InChIKeyNJNFXLYQAVQOJG-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.42
Rot. Bonds5

About N,N-diethyl-2-(thiophene-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N,N-diethyl-2-(thiophene-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 24901563) has the molecular formula C18H22N2O2S2 and a molecular weight of 362.52 g/mol. Its IUPAC name is N,N-diethyl-2-(thiophene-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-(thiophene-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID24901563
Molecular FormulaC18H22N2O2S2
Molecular Weight362.52 g/mol
Exact Mass362.11
IUPAC NameN,N-diethyl-2-(thiophene-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCCN(CC)C(=O)c1c(NC(=O)c2ccsc2)sc2c1CCCC2
InChIInChI=1S/C18H22N2O2S2/c1-3-20(4-2)18(22)15-13-7-5-6-8-14(13)24-17(15)19-16(21)12-9-10-23-11-12/h9-11H,3-8H2,1-2H3,(H,19,21)
InChIKeyNJNFXLYQAVQOJG-UHFFFAOYSA-N
XLogP4.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-Diethyl-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1190625
(5R)-N,N-Diethyl-5-methyl-2-[(thiophen-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 16122638
2-(2-(Benzo[b]thiophen-3-yl)acetamido)thiophene-3-carboxamide
CID 46926788
2-[(2-Fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 700253
2-Benzamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 678544
1-(3-(Methylcarbamoyl)-5-phenylthiophen-2-yl)urea
CID 9878679
2-(3-Methylbenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 690904
2-((4-(1,1-Dimethylethyl)benzoyl)amino)-4,5,6,7-tetrahydrobenzo(b)thiophene-3-carboxamide
CID 984977
N-(3-(piperidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiophene-2-carboxamide
CID 1190622
3-N,3-N-diethyl-5-methyl-2-N-(thiophene-2-)-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamido
CID 23628220
2-(Thiophene-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 675901
N-(3-Benzoyl-5-methyl-thiophen-2-yl)-2-diethylamino-acetamide
CID 857635

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(thiophene-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N,N-diethyl-2-(thiophene-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 24901563) is N,N-diethyl-2-(thiophene-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N,N-diethyl-2-(thiophene-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N,N-diethyl-2-(thiophene-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CCN(CC)C(=O)c1c(NC(=O)c2ccsc2)sc2c1CCCC2.
What is the InChIKey of N,N-diethyl-2-(thiophene-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is NJNFXLYQAVQOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S2/c1-3-20(4-2)18(22)15-13-7-5-6-8-14(13)24-17(15)19-16(21)12-9-10-23-11-12/h9-11H,3-8H2,1-2H3,(H,19,21).
What are the key properties of N,N-diethyl-2-(thiophene-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N,N-diethyl-2-(thiophene-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 362.52 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(thiophene-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 24901563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).