N-benzyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide

C19H19NO2S — CID 57050332

IUPACN-benzyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide
SMILESCC(C)Oc1c(C(=O)NCc2ccccc2)sc2ccccc12
InChIInChI=1S/C19H19NO2S/c1-13(2)22-17-15-10-6-7-11-16(15)23-18(17)19(21)20-12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,20,21)
InChIKeyQLLTYTAYXBWDLQ-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.62
Rot. Bonds5

About N-benzyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide

N-benzyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide (PubChem CID 57050332) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-benzyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide
PubChem CID57050332
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC NameN-benzyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide
SMILESCC(C)Oc1c(C(=O)NCc2ccccc2)sc2ccccc12
InChIInChI=1S/C19H19NO2S/c1-13(2)22-17-15-10-6-7-11-16(15)23-18(17)19(21)20-12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,20,21)
InChIKeyQLLTYTAYXBWDLQ-UHFFFAOYSA-N
XLogP4.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-chloro-1-benzothiophene-2-carboxamide
CID 675718
N-benzyl-5-chloro-3-methoxy-1-benzothiophene-2-carboxamide
CID 50846024
3-chloro-N-[[4-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 5225240
N-benzyl-3-naphthalen-1-yl-1-benzothiophene-2-carboxamide
CID 90752219
dimethyl-[[4-[[(3-methyl-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]azanium
CID 8533507
N-[[3-[(4-aminobenzoyl)amino]phenyl]methyl]-3-phenylmethoxy-1-benzothiophene-2-carboxamide
CID 162664104
N-benzyl-5-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxamide
CID 18963780
3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 2564536
2-[[2-(cyclohexylmethylcarbamoyl)-1-benzothiophen-3-yl]oxy]pentanoic acid
CID 69121621
3-chloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 1080679
1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109046741
6-phenoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxylic acid
CID 14673587

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide?
The IUPAC name of N-benzyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide (CID 57050332) is N-benzyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-benzyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide is CC(C)Oc1c(C(=O)NCc2ccccc2)sc2ccccc12.
What is the InChIKey of N-benzyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide?
The InChIKey is QLLTYTAYXBWDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c1-13(2)22-17-15-10-6-7-11-16(15)23-18(17)19(21)20-12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,20,21).
What are the key properties of N-benzyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide?
N-benzyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 57050332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).