2-N-thiophen-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide

C14H14N2O2S2 — CID 11483606

IUPAC2-N-thiophen-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide
SMILESNC(=O)c1c(C(=O)Nc2cccs2)sc2c1CCCC2
InChIInChI=1S/C14H14N2O2S2/c15-13(17)11-8-4-1-2-5-9(8)20-12(11)14(18)16-10-6-3-7-19-10/h3,6-7H,1-2,4-5H2,(H2,15,17)(H,16,18)
InChIKeyAWKSUTDEHHIZSW-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.04
Rot. Bonds3

About 2-N-thiophen-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide

2-N-thiophen-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide (PubChem CID 11483606) has the molecular formula C14H14N2O2S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-N-thiophen-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide.

Molecular Properties

Compound Name2-N-thiophen-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide
PubChem CID11483606
Molecular FormulaC14H14N2O2S2
Molecular Weight306.41 g/mol
Exact Mass306.05
IUPAC Name2-N-thiophen-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide
SMILESNC(=O)c1c(C(=O)Nc2cccs2)sc2c1CCCC2
InChIInChI=1S/C14H14N2O2S2/c15-13(17)11-8-4-1-2-5-9(8)20-12(11)14(18)16-10-6-3-7-19-10/h3,6-7H,1-2,4-5H2,(H2,15,17)(H,16,18)
InChIKeyAWKSUTDEHHIZSW-UHFFFAOYSA-N
XLogP3.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 60599644
2-N,5-N-bis(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiophene-2,5-dicarboxamide
CID 5228452
3-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide
CID 69352287
4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide;2,2,2-trifluoroacetic acid
CID 160806481
2-[(2-chlorobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 4592657
2-[(2-methylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 712897
2-[(2,6-dimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1219754
2-(thiophene-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 4740471
2-[(5-bromothiophene-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 4061766
2-[(4-iodobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4511414
2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 673603
2-[[3-(dimethylamino)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 17459327

Frequently Asked Questions

What is the IUPAC name of 2-N-thiophen-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide?
The IUPAC name of 2-N-thiophen-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide (CID 11483606) is 2-N-thiophen-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide.
What is the SMILES notation for 2-N-thiophen-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide?
The canonical SMILES for 2-N-thiophen-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide is NC(=O)c1c(C(=O)Nc2cccs2)sc2c1CCCC2.
What is the InChIKey of 2-N-thiophen-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide?
The InChIKey is AWKSUTDEHHIZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S2/c15-13(17)11-8-4-1-2-5-9(8)20-12(11)14(18)16-10-6-3-7-19-10/h3,6-7H,1-2,4-5H2,(H2,15,17)(H,16,18).
What are the key properties of 2-N-thiophen-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide?
2-N-thiophen-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide has a molecular weight of 306.41 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-thiophen-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide is sourced from PubChem (CID 11483606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).