2-(cyclopropanecarbonylamino)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C14H18N2O2S — CID 7474770

IUPAC2-(cyclopropanecarbonylamino)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCNC(=O)c1c(NC(=O)C2CC2)sc2c1CCCC2
InChIInChI=1S/C14H18N2O2S/c1-15-13(18)11-9-4-2-3-5-10(9)19-14(11)16-12(17)8-6-7-8/h8H,2-7H2,1H3,(H,15,18)(H,16,17)
InChIKeyWLYRUMBLEFEPNA-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.34
Rot. Bonds3

About 2-(cyclopropanecarbonylamino)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-(cyclopropanecarbonylamino)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 7474770) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID7474770
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-(cyclopropanecarbonylamino)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCNC(=O)c1c(NC(=O)C2CC2)sc2c1CCCC2
InChIInChI=1S/C14H18N2O2S/c1-15-13(18)11-9-4-2-3-5-10(9)19-14(11)16-12(17)8-6-7-8/h8H,2-7H2,1H3,(H,15,18)(H,16,17)
InChIKeyWLYRUMBLEFEPNA-UHFFFAOYSA-N
XLogP2.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 7474770) is 2-(cyclopropanecarbonylamino)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CNC(=O)c1c(NC(=O)C2CC2)sc2c1CCCC2.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is WLYRUMBLEFEPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-15-13(18)11-9-4-2-3-5-10(9)19-14(11)16-12(17)8-6-7-8/h8H,2-7H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
2-(cyclopropanecarbonylamino)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 7474770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).