N-(cyclopropylmethyl)-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide

C20H18FNO2S — CID 55545447

IUPACN-(cyclopropylmethyl)-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCC1CC1)c1sc2cccc(F)c2c1COc1ccccc1
InChIInChI=1S/C20H18FNO2S/c21-16-7-4-8-17-18(16)15(12-24-14-5-2-1-3-6-14)19(25-17)20(23)22-11-13-9-10-13/h1-8,13H,9-12H2,(H,22,23)
InChIKeyBNDSKPYNIYPXCF-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.76
Rot. Bonds6

About N-(cyclopropylmethyl)-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide

N-(cyclopropylmethyl)-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide (PubChem CID 55545447) has the molecular formula C20H18FNO2S and a molecular weight of 355.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide
PubChem CID55545447
Molecular FormulaC20H18FNO2S
Molecular Weight355.43 g/mol
Exact Mass355.10
IUPAC NameN-(cyclopropylmethyl)-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCC1CC1)c1sc2cccc(F)c2c1COc1ccccc1
InChIInChI=1S/C20H18FNO2S/c21-16-7-4-8-17-18(16)15(12-24-14-5-2-1-3-6-14)19(25-17)20(23)22-11-13-9-10-13/h1-8,13H,9-12H2,(H,22,23)
InChIKeyBNDSKPYNIYPXCF-UHFFFAOYSA-N
XLogP4.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(3-hydroxypropyl)-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide
CID 78854502
4-fluoro-N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide
CID 55974311
N'-benzoyl-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carbohydrazide
CID 46510072
4-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide
CID 42118869
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-fluoro-3-(phenoxymethyl)-1-benzothiophen-2-yl]methanone
CID 120660147
4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide
CID 31343525
4-fluoro-3-(phenoxymethyl)-N-(1H-1,2,4-triazol-5-yl)-1-benzothiophene-2-carboxamide
CID 30864424
[4-[4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carbonyl]piperazin-1-yl]-phenylmethanone
CID 30700297
4-fluoro-3-(phenoxymethyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1-benzothiophene-2-carboxamide
CID 55803871
4-fluoro-N-methyl-3-(phenoxymethyl)-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide;hydrochloride
CID 119554564
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 51212202
3-(2-cyclopropylethoxymethyl)-4-fluoro-1-benzothiophene-2-carbohydrazide
CID 106206522

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide (CID 55545447) is N-(cyclopropylmethyl)-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide is O=C(NCC1CC1)c1sc2cccc(F)c2c1COc1ccccc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is BNDSKPYNIYPXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2S/c21-16-7-4-8-17-18(16)15(12-24-14-5-2-1-3-6-14)19(25-17)20(23)22-11-13-9-10-13/h1-8,13H,9-12H2,(H,22,23).
What are the key properties of N-(cyclopropylmethyl)-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide?
N-(cyclopropylmethyl)-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 355.43 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 55545447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).