4-fluoro-N-[[1-[(2R)-4-hydroxybutan-2-yl]cyclobutyl]methyl]-3-methyl-1-benzothiophene-2-carboxamide

C19H24FNO2S — CID 97335515

IUPAC4-fluoro-N-[[1-[(2R)-4-hydroxybutan-2-yl]cyclobutyl]methyl]-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NCC2([C@H](C)CCO)CCC2)sc2cccc(F)c12
InChIInChI=1S/C19H24FNO2S/c1-12(7-10-22)19(8-4-9-19)11-21-18(23)17-13(2)16-14(20)5-3-6-15(16)24-17/h3,5-6,12,22H,4,7-11H2,1-2H3,(H,21,23)/t12-/m1/s1
InChIKeyNESWJBKMYVMBHA-GFCCVEGCSA-N
MW349.47 g/mol
LogP4.27
Rot. Bonds6

About 4-fluoro-N-[[1-[(2R)-4-hydroxybutan-2-yl]cyclobutyl]methyl]-3-methyl-1-benzothiophene-2-carboxamide

4-fluoro-N-[[1-[(2R)-4-hydroxybutan-2-yl]cyclobutyl]methyl]-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 97335515) has the molecular formula C19H24FNO2S and a molecular weight of 349.47 g/mol. Its IUPAC name is 4-fluoro-N-[[1-[(2R)-4-hydroxybutan-2-yl]cyclobutyl]methyl]-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[[1-[(2R)-4-hydroxybutan-2-yl]cyclobutyl]methyl]-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID97335515
Molecular FormulaC19H24FNO2S
Molecular Weight349.47 g/mol
Exact Mass349.15
IUPAC Name4-fluoro-N-[[1-[(2R)-4-hydroxybutan-2-yl]cyclobutyl]methyl]-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NCC2([C@H](C)CCO)CCC2)sc2cccc(F)c12
InChIInChI=1S/C19H24FNO2S/c1-12(7-10-22)19(8-4-9-19)11-21-18(23)17-13(2)16-14(20)5-3-6-15(16)24-17/h3,5-6,12,22H,4,7-11H2,1-2H3,(H,21,23)/t12-/m1/s1
InChIKeyNESWJBKMYVMBHA-GFCCVEGCSA-N
XLogP4.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[[1-[(2R)-4-hydroxybutan-2-yl]cyclobutyl]methyl]-3-methyl-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

4-fluoro-N-[(4-hydroxythian-4-yl)methyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 111485000
4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 43393128
N-(3-amino-2-methylpropyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 119995209
4-fluoro-3-methyl-N-pentyl-1-benzothiophene-2-carboxamide
CID 33141822
4-fluoro-3-methyl-N-[(2S)-2-phenylpropyl]-1-benzothiophene-2-carboxamide
CID 9457233
4-fluoro-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzothiophene-2-carboxamide
CID 103723279
(3S)-3-[(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)amino]thiolane-3-carboxylic acid
CID 125136913
3-amino-4-fluoro-N-(4-hydroxy-2-methylbutyl)-1-benzothiophene-2-carboxamide
CID 79511999
4-fluoro-N-(3-hydroxy-4-methoxybutyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 103877257
4-fluoro-N-[(3-hydroxycyclobutyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 66004913
methyl 2-[(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)amino]-3-hydroxypropanoate
CID 43408404
N-cyclopentyl-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 26721964

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[1-[(2R)-4-hydroxybutan-2-yl]cyclobutyl]methyl]-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-[[1-[(2R)-4-hydroxybutan-2-yl]cyclobutyl]methyl]-3-methyl-1-benzothiophene-2-carboxamide (CID 97335515) is 4-fluoro-N-[[1-[(2R)-4-hydroxybutan-2-yl]cyclobutyl]methyl]-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[[1-[(2R)-4-hydroxybutan-2-yl]cyclobutyl]methyl]-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[[1-[(2R)-4-hydroxybutan-2-yl]cyclobutyl]methyl]-3-methyl-1-benzothiophene-2-carboxamide is Cc1c(C(=O)NCC2([C@H](C)CCO)CCC2)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-N-[[1-[(2R)-4-hydroxybutan-2-yl]cyclobutyl]methyl]-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is NESWJBKMYVMBHA-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H24FNO2S/c1-12(7-10-22)19(8-4-9-19)11-21-18(23)17-13(2)16-14(20)5-3-6-15(16)24-17/h3,5-6,12,22H,4,7-11H2,1-2H3,(H,21,23)/t12-/m1/s1.
What are the key properties of 4-fluoro-N-[[1-[(2R)-4-hydroxybutan-2-yl]cyclobutyl]methyl]-3-methyl-1-benzothiophene-2-carboxamide?
4-fluoro-N-[[1-[(2R)-4-hydroxybutan-2-yl]cyclobutyl]methyl]-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 349.47 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[1-[(2R)-4-hydroxybutan-2-yl]cyclobutyl]methyl]-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 97335515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).