N-[3-(4-cyclopropylbutanoylamino)-2-methylpropyl]-1-benzothiophene-6-carboxamide

C20H26N2O2S — CID 166370236

IUPACN-[3-(4-cyclopropylbutanoylamino)-2-methylpropyl]-1-benzothiophene-6-carboxamide
SMILESCC(CNC(=O)CCCC1CC1)CNC(=O)c1ccc2ccsc2c1
InChIInChI=1S/C20H26N2O2S/c1-14(12-21-19(23)4-2-3-15-5-6-15)13-22-20(24)17-8-7-16-9-10-25-18(16)11-17/h7-11,14-15H,2-6,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyWVOJEWNZJBULCJ-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.96
Rot. Bonds9

About N-[3-(4-cyclopropylbutanoylamino)-2-methylpropyl]-1-benzothiophene-6-carboxamide

N-[3-(4-cyclopropylbutanoylamino)-2-methylpropyl]-1-benzothiophene-6-carboxamide (PubChem CID 166370236) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[3-(4-cyclopropylbutanoylamino)-2-methylpropyl]-1-benzothiophene-6-carboxamide.

Molecular Properties

Compound NameN-[3-(4-cyclopropylbutanoylamino)-2-methylpropyl]-1-benzothiophene-6-carboxamide
PubChem CID166370236
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[3-(4-cyclopropylbutanoylamino)-2-methylpropyl]-1-benzothiophene-6-carboxamide
SMILESCC(CNC(=O)CCCC1CC1)CNC(=O)c1ccc2ccsc2c1
InChIInChI=1S/C20H26N2O2S/c1-14(12-21-19(23)4-2-3-15-5-6-15)13-22-20(24)17-8-7-16-9-10-25-18(16)11-17/h7-11,14-15H,2-6,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyWVOJEWNZJBULCJ-UHFFFAOYSA-N
XLogP3.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-6-yl)-2-bromopropan-1-one
CID 168763973
N'-tert-butyl-1-benzothiophene-6-carbohydrazide
CID 76849143
1-(1-benzothiophen-6-yl)-3-fluoro-2-(methylamino)propan-1-one
CID 166941307
6-bromo-N-[2-methyl-3-(methylamino)propyl]naphthalene-2-carboxamide
CID 115354259
6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide
CID 113278451
6-bromo-N-(3-bromo-2-methylpropyl)naphthalene-2-carboxamide
CID 113292807
N-(3-amino-2-methylpropyl)-4-(1-methylpyrrolidin-3-yl)butanamide
CID 115271802
N-(1-azabicyclo[3.2.2]nonan-3-yl)-1-benzothiophene-6-carboxamide
CID 22481751
N-(4-bromo-2-methylbutyl)naphthalene-2-carboxamide
CID 114316931
N-(3-cyclopropylpropyl)-4-hydroxy-3-methylbenzamide
CID 103957172
N-(3-amino-2-methylpropyl)-4-(cyclopropylamino)-3-nitrobenzamide
CID 119995566
3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid
CID 66166053

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyclopropylbutanoylamino)-2-methylpropyl]-1-benzothiophene-6-carboxamide?
The IUPAC name of N-[3-(4-cyclopropylbutanoylamino)-2-methylpropyl]-1-benzothiophene-6-carboxamide (CID 166370236) is N-[3-(4-cyclopropylbutanoylamino)-2-methylpropyl]-1-benzothiophene-6-carboxamide.
What is the SMILES notation for N-[3-(4-cyclopropylbutanoylamino)-2-methylpropyl]-1-benzothiophene-6-carboxamide?
The canonical SMILES for N-[3-(4-cyclopropylbutanoylamino)-2-methylpropyl]-1-benzothiophene-6-carboxamide is CC(CNC(=O)CCCC1CC1)CNC(=O)c1ccc2ccsc2c1.
What is the InChIKey of N-[3-(4-cyclopropylbutanoylamino)-2-methylpropyl]-1-benzothiophene-6-carboxamide?
The InChIKey is WVOJEWNZJBULCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-14(12-21-19(23)4-2-3-15-5-6-15)13-22-20(24)17-8-7-16-9-10-25-18(16)11-17/h7-11,14-15H,2-6,12-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-(4-cyclopropylbutanoylamino)-2-methylpropyl]-1-benzothiophene-6-carboxamide?
N-[3-(4-cyclopropylbutanoylamino)-2-methylpropyl]-1-benzothiophene-6-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyclopropylbutanoylamino)-2-methylpropyl]-1-benzothiophene-6-carboxamide is sourced from PubChem (CID 166370236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).