N-(4-hydroxyphenyl)-N-methyl-3-propyl-1-benzothiophene-2-carboxamide

C19H19NO2S — CID 110498549

IUPACN-(4-hydroxyphenyl)-N-methyl-3-propyl-1-benzothiophene-2-carboxamide
SMILESCCCc1c(C(=O)N(C)c2ccc(O)cc2)sc2ccccc12
InChIInChI=1S/C19H19NO2S/c1-3-6-16-15-7-4-5-8-17(15)23-18(16)19(22)20(2)13-9-11-14(21)12-10-13/h4-5,7-12,21H,3,6H2,1-2H3
InChIKeyNXLUUHYQLUMOSA-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.84
Rot. Bonds4

About N-(4-hydroxyphenyl)-N-methyl-3-propyl-1-benzothiophene-2-carboxamide

N-(4-hydroxyphenyl)-N-methyl-3-propyl-1-benzothiophene-2-carboxamide (PubChem CID 110498549) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-N-methyl-3-propyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-N-methyl-3-propyl-1-benzothiophene-2-carboxamide
PubChem CID110498549
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC NameN-(4-hydroxyphenyl)-N-methyl-3-propyl-1-benzothiophene-2-carboxamide
SMILESCCCc1c(C(=O)N(C)c2ccc(O)cc2)sc2ccccc12
InChIInChI=1S/C19H19NO2S/c1-3-6-16-15-7-4-5-8-17(15)23-18(16)19(22)20(2)13-9-11-14(21)12-10-13/h4-5,7-12,21H,3,6H2,1-2H3
InChIKeyNXLUUHYQLUMOSA-UHFFFAOYSA-N
XLogP4.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-N-methyl-3-propyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-N-methyl-3-propyl-1-benzothiophene-2-carboxamide (CID 110498549) is N-(4-hydroxyphenyl)-N-methyl-3-propyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-N-methyl-3-propyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-N-methyl-3-propyl-1-benzothiophene-2-carboxamide is CCCc1c(C(=O)N(C)c2ccc(O)cc2)sc2ccccc12.
What is the InChIKey of N-(4-hydroxyphenyl)-N-methyl-3-propyl-1-benzothiophene-2-carboxamide?
The InChIKey is NXLUUHYQLUMOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c1-3-6-16-15-7-4-5-8-17(15)23-18(16)19(22)20(2)13-9-11-14(21)12-10-13/h4-5,7-12,21H,3,6H2,1-2H3.
What are the key properties of N-(4-hydroxyphenyl)-N-methyl-3-propyl-1-benzothiophene-2-carboxamide?
N-(4-hydroxyphenyl)-N-methyl-3-propyl-1-benzothiophene-2-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-N-methyl-3-propyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 110498549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).