2-[(5-methylthiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C15H16N2O2S2 — CID 16610063

IUPAC2-[(5-methylthiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)s1
InChIInChI=1S/C15H16N2O2S2/c1-8-6-7-11(20-8)14(19)17-15-12(13(16)18)9-4-2-3-5-10(9)21-15/h6-7H,2-5H2,1H3,(H2,16,18)(H,17,19)
InChIKeyDTWIFKFHVBVTMU-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.35
Rot. Bonds3

About 2-[(5-methylthiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-[(5-methylthiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 16610063) has the molecular formula C15H16N2O2S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[(5-methylthiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(5-methylthiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID16610063
Molecular FormulaC15H16N2O2S2
Molecular Weight320.44 g/mol
Exact Mass320.07
IUPAC Name2-[(5-methylthiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)s1
InChIInChI=1S/C15H16N2O2S2/c1-8-6-7-11(20-8)14(19)17-15-12(13(16)18)9-4-2-3-5-10(9)21-15/h6-7H,2-5H2,1H3,(H2,16,18)(H,17,19)
InChIKeyDTWIFKFHVBVTMU-UHFFFAOYSA-N
XLogP3.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylthiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-[(5-methylthiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 16610063) is 2-[(5-methylthiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-[(5-methylthiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-[(5-methylthiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)s1.
What is the InChIKey of 2-[(5-methylthiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is DTWIFKFHVBVTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S2/c1-8-6-7-11(20-8)14(19)17-15-12(13(16)18)9-4-2-3-5-10(9)21-15/h6-7H,2-5H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 2-[(5-methylthiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
2-[(5-methylthiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylthiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 16610063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).