N-butyl-N-(2-hydroxyethyl)-1-benzothiophene-3-carboxamide

C15H19NO2S — CID 54942944

IUPACN-butyl-N-(2-hydroxyethyl)-1-benzothiophene-3-carboxamide
SMILESCCCCN(CCO)C(=O)c1csc2ccccc12
InChIInChI=1S/C15H19NO2S/c1-2-3-8-16(9-10-17)15(18)13-11-19-14-7-5-4-6-12(13)14/h4-7,11,17H,2-3,8-10H2,1H3
InChIKeySCZUJBFPHGQMEZ-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.14
Rot. Bonds6

About N-butyl-N-(2-hydroxyethyl)-1-benzothiophene-3-carboxamide

N-butyl-N-(2-hydroxyethyl)-1-benzothiophene-3-carboxamide (PubChem CID 54942944) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-1-benzothiophene-3-carboxamide
PubChem CID54942944
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC NameN-butyl-N-(2-hydroxyethyl)-1-benzothiophene-3-carboxamide
SMILESCCCCN(CCO)C(=O)c1csc2ccccc12
InChIInChI=1S/C15H19NO2S/c1-2-3-8-16(9-10-17)15(18)13-11-19-14-7-5-4-6-12(13)14/h4-7,11,17H,2-3,8-10H2,1H3
InChIKeySCZUJBFPHGQMEZ-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(3-hydroxypropyl)-1-benzothiophene-3-carboxamide
CID 115771813
N-(2-hydroxyethyl)-N-prop-2-enyl-1-benzothiophene-3-carboxamide
CID 113340648
N-(2-hydroxyethyl)-N-propan-2-yl-1-benzothiophene-3-carboxamide
CID 55013217
2-[1-benzothiophene-3-carbonyl(carboxymethyl)amino]acetic acid
CID 63650829
N-methyl-N-(3-phenylpropyl)-1-benzothiophene-3-carboxamide
CID 112826472
3-[1-benzothiophene-3-carbonyl(ethyl)amino]-2-methylpropanoic acid
CID 62827586
N-butyl-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide
CID 79808500
2-[hexyl(2-hydroxyethyl)carbamoyl]benzoic acid
CID 60949991
N-(2-aminoethyl)-N-methyl-1-benzothiophene-3-carboxamide
CID 62682956
1-(1-benzothiophene-3-carbonylamino)-1-butylthiourea
CID 21157628
4-(1-benzothiophen-3-yl)-N-ethyl-N-(2-hydroxyethyl)butanamide
CID 109468303
N-(3-chloropropyl)-N-propan-2-yl-1-benzothiophene-3-carboxamide
CID 63390906

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-1-benzothiophene-3-carboxamide (CID 54942944) is N-butyl-N-(2-hydroxyethyl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-1-benzothiophene-3-carboxamide is CCCCN(CCO)C(=O)c1csc2ccccc12.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-1-benzothiophene-3-carboxamide?
The InChIKey is SCZUJBFPHGQMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-2-3-8-16(9-10-17)15(18)13-11-19-14-7-5-4-6-12(13)14/h4-7,11,17H,2-3,8-10H2,1H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)-1-benzothiophene-3-carboxamide?
N-butyl-N-(2-hydroxyethyl)-1-benzothiophene-3-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 54942944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).