N-(cyclopropylmethyl)-N-methyl-7-phenyl-1-benzothiophene-5-carboxamide

C20H19NOS — CID 14054328

IUPACN-(cyclopropylmethyl)-N-methyl-7-phenyl-1-benzothiophene-5-carboxamide
SMILESCN(CC1CC1)C(=O)c1cc(-c2ccccc2)c2sccc2c1
InChIInChI=1S/C20H19NOS/c1-21(13-14-7-8-14)20(22)17-11-16-9-10-23-19(16)18(12-17)15-5-3-2-4-6-15/h2-6,9-12,14H,7-8,13H2,1H3
InChIKeyKYOKITPQAYHHPS-UHFFFAOYSA-N
MW321.44 g/mol
LogP5.05
Rot. Bonds4

About N-(cyclopropylmethyl)-N-methyl-7-phenyl-1-benzothiophene-5-carboxamide

N-(cyclopropylmethyl)-N-methyl-7-phenyl-1-benzothiophene-5-carboxamide (PubChem CID 14054328) has the molecular formula C20H19NOS and a molecular weight of 321.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-methyl-7-phenyl-1-benzothiophene-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-methyl-7-phenyl-1-benzothiophene-5-carboxamide
PubChem CID14054328
Molecular FormulaC20H19NOS
Molecular Weight321.44 g/mol
Exact Mass321.12
IUPAC NameN-(cyclopropylmethyl)-N-methyl-7-phenyl-1-benzothiophene-5-carboxamide
SMILESCN(CC1CC1)C(=O)c1cc(-c2ccccc2)c2sccc2c1
InChIInChI=1S/C20H19NOS/c1-21(13-14-7-8-14)20(22)17-11-16-9-10-23-19(16)18(12-17)15-5-3-2-4-6-15/h2-6,9-12,14H,7-8,13H2,1H3
InChIKeyKYOKITPQAYHHPS-UHFFFAOYSA-N
XLogP5.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.44
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-methyl-7-phenyl-1-benzothiophene-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-methyl-7-phenyl-1-benzothiophene-5-carboxamide (CID 14054328) is N-(cyclopropylmethyl)-N-methyl-7-phenyl-1-benzothiophene-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-methyl-7-phenyl-1-benzothiophene-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-methyl-7-phenyl-1-benzothiophene-5-carboxamide is CN(CC1CC1)C(=O)c1cc(-c2ccccc2)c2sccc2c1.
What is the InChIKey of N-(cyclopropylmethyl)-N-methyl-7-phenyl-1-benzothiophene-5-carboxamide?
The InChIKey is KYOKITPQAYHHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NOS/c1-21(13-14-7-8-14)20(22)17-11-16-9-10-23-19(16)18(12-17)15-5-3-2-4-6-15/h2-6,9-12,14H,7-8,13H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-methyl-7-phenyl-1-benzothiophene-5-carboxamide?
N-(cyclopropylmethyl)-N-methyl-7-phenyl-1-benzothiophene-5-carboxamide has a molecular weight of 321.44 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-methyl-7-phenyl-1-benzothiophene-5-carboxamide is sourced from PubChem (CID 14054328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).