N-(dicyclopropylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

C16H19NOS — CID 42938008

IUPACN-(dicyclopropylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(NC(C1CC1)C1CC1)C1Cc2ccccc2S1
InChIInChI=1S/C16H19NOS/c18-16(17-15(10-5-6-10)11-7-8-11)14-9-12-3-1-2-4-13(12)19-14/h1-4,10-11,14-15H,5-9H2,(H,17,18)
InChIKeyJERSMKXNKWLTOW-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.01
Rot. Bonds4

About N-(dicyclopropylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

N-(dicyclopropylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 42938008) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID42938008
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-(dicyclopropylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(NC(C1CC1)C1CC1)C1Cc2ccccc2S1
InChIInChI=1S/C16H19NOS/c18-16(17-15(10-5-6-10)11-7-8-11)14-9-12-3-1-2-4-13(12)19-14/h1-4,10-11,14-15H,5-9H2,(H,17,18)
InChIKeyJERSMKXNKWLTOW-UHFFFAOYSA-N
XLogP3.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(dicyclopropylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 42938008) is N-(dicyclopropylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(dicyclopropylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is O=C(NC(C1CC1)C1CC1)C1Cc2ccccc2S1.
What is the InChIKey of N-(dicyclopropylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is JERSMKXNKWLTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c18-16(17-15(10-5-6-10)11-7-8-11)14-9-12-3-1-2-4-13(12)19-14/h1-4,10-11,14-15H,5-9H2,(H,17,18).
What are the key properties of N-(dicyclopropylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-(dicyclopropylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 273.40 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 42938008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).