N-ethyl-N-(3-hydroxypropyl)-1-benzothiophene-3-carboxamide

C14H17NO2S — CID 115771813

IUPACN-ethyl-N-(3-hydroxypropyl)-1-benzothiophene-3-carboxamide
SMILESCCN(CCCO)C(=O)c1csc2ccccc12
InChIInChI=1S/C14H17NO2S/c1-2-15(8-5-9-16)14(17)12-10-18-13-7-4-3-6-11(12)13/h3-4,6-7,10,16H,2,5,8-9H2,1H3
InChIKeyIDUZYALMVJUWBN-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.75
Rot. Bonds5

About N-ethyl-N-(3-hydroxypropyl)-1-benzothiophene-3-carboxamide

N-ethyl-N-(3-hydroxypropyl)-1-benzothiophene-3-carboxamide (PubChem CID 115771813) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxypropyl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxypropyl)-1-benzothiophene-3-carboxamide
PubChem CID115771813
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC NameN-ethyl-N-(3-hydroxypropyl)-1-benzothiophene-3-carboxamide
SMILESCCN(CCCO)C(=O)c1csc2ccccc12
InChIInChI=1S/C14H17NO2S/c1-2-15(8-5-9-16)14(17)12-10-18-13-7-4-3-6-11(12)13/h3-4,6-7,10,16H,2,5,8-9H2,1H3
InChIKeyIDUZYALMVJUWBN-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-(2-hydroxyethyl)-1-benzothiophene-3-carboxamide
CID 54942944
3-[1-benzothiophene-3-carbonyl(ethyl)amino]-2-methylpropanoic acid
CID 62827586
N-(2-hydroxyethyl)-N-propan-2-yl-1-benzothiophene-3-carboxamide
CID 55013217
2-[ethyl(3-hydroxypropyl)carbamoyl]benzoic acid
CID 50877579
2-[1-benzothiophene-3-carbonyl(carboxymethyl)amino]acetic acid
CID 63650829
2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115771499
N-methyl-N-(3-phenylpropyl)-1-benzothiophene-3-carboxamide
CID 112826472
4-(1-benzothiophen-3-yl)-N-ethyl-N-(2-hydroxyethyl)butanamide
CID 109468303
1-amino-N-ethyl-N-(3-hydroxypropyl)isoquinoline-4-carboxamide
CID 106772800
1-(1-benzothiophen-3-yl)ethanone;N,N-dimethylethanamine
CID 142071955
N-(2-aminoethyl)-N-methyl-1-benzothiophene-3-carboxamide
CID 62682956
2-tert-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115772103

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxypropyl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-ethyl-N-(3-hydroxypropyl)-1-benzothiophene-3-carboxamide (CID 115771813) is N-ethyl-N-(3-hydroxypropyl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxypropyl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-ethyl-N-(3-hydroxypropyl)-1-benzothiophene-3-carboxamide is CCN(CCCO)C(=O)c1csc2ccccc12.
What is the InChIKey of N-ethyl-N-(3-hydroxypropyl)-1-benzothiophene-3-carboxamide?
The InChIKey is IDUZYALMVJUWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-2-15(8-5-9-16)14(17)12-10-18-13-7-4-3-6-11(12)13/h3-4,6-7,10,16H,2,5,8-9H2,1H3.
What are the key properties of N-ethyl-N-(3-hydroxypropyl)-1-benzothiophene-3-carboxamide?
N-ethyl-N-(3-hydroxypropyl)-1-benzothiophene-3-carboxamide has a molecular weight of 263.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxypropyl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 115771813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).