N-(4-hydroxypentan-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide

C14H19NO2S — CID 113376574

IUPACN-(4-hydroxypentan-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESCC(O)CC(C)NC(=O)C1CSc2ccccc21
InChIInChI=1S/C14H19NO2S/c1-9(7-10(2)16)15-14(17)12-8-18-13-6-4-3-5-11(12)13/h3-6,9-10,12,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyYSSCZVXRCNXZHL-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.15
Rot. Bonds4

About N-(4-hydroxypentan-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide

N-(4-hydroxypentan-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide (PubChem CID 113376574) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(4-hydroxypentan-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxypentan-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide
PubChem CID113376574
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-(4-hydroxypentan-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESCC(O)CC(C)NC(=O)C1CSc2ccccc21
InChIInChI=1S/C14H19NO2S/c1-9(7-10(2)16)15-14(17)12-8-18-13-6-4-3-5-11(12)13/h3-6,9-10,12,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyYSSCZVXRCNXZHL-UHFFFAOYSA-N
XLogP2.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxypentan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 113376584
N-(1-aminobutan-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79214006
N-(1-bromobutan-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 114307545
(3S)-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 124566921
(2R)-3-[[(3S)-2,3-dihydro-1-benzothiophene-3-carbonyl]amino]-2-methylpropanoic acid
CID 124516129
2-(2,3-dihydro-1-benzothiophene-3-carbonylamino)-3,3-dimethylbutanoic acid
CID 79213216
N-(4-hydroxypentan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 113376258
N-(1-bromopentan-3-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 113496387
N-(2-methylbutylsulfonyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 102554600
2-(2,3-dihydro-1-benzothiophene-3-carbonylamino)-4-methylsulfanylbutanoic acid
CID 79212238
N-prop-2-ynyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993620
N-(2-cyclopropyl-2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79211894

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentan-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(4-hydroxypentan-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide (CID 113376574) is N-(4-hydroxypentan-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(4-hydroxypentan-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(4-hydroxypentan-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide is CC(O)CC(C)NC(=O)C1CSc2ccccc21.
What is the InChIKey of N-(4-hydroxypentan-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The InChIKey is YSSCZVXRCNXZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-9(7-10(2)16)15-14(17)12-8-18-13-6-4-3-5-11(12)13/h3-6,9-10,12,16H,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-(4-hydroxypentan-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
N-(4-hydroxypentan-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentan-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 113376574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).