3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide

C15H20N2O2S — CID 107932567

IUPAC3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(=O)NC(C)(C)CCO)c(N)c2c1
InChIInChI=1S/C15H20N2O2S/c1-9-4-5-11-10(8-9)12(16)13(20-11)14(19)17-15(2,3)6-7-18/h4-5,8,18H,6-7,16H2,1-3H3,(H,17,19)
InChIKeyXOHNZCROTQUTLQ-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.68
Rot. Bonds4

About 3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide

3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide (PubChem CID 107932567) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
PubChem CID107932567
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(=O)NC(C)(C)CCO)c(N)c2c1
InChIInChI=1S/C15H20N2O2S/c1-9-4-5-11-10(8-9)12(16)13(20-11)14(19)17-15(2,3)6-7-18/h4-5,8,18H,6-7,16H2,1-3H3,(H,17,19)
InChIKeyXOHNZCROTQUTLQ-UHFFFAOYSA-N
XLogP2.68
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1-methoxy-2-methylpropan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932523
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 106174309
3-amino-N-(4-hydroxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932496
3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107113658
3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide
CID 107932222
3-amino-N-(4-methoxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932413
3-amino-N-(2-methoxypropyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932602
3-amino-N-cycloheptyl-5-methyl-1-benzothiophene-2-carboxamide
CID 107932155
3-amino-N-(2-ethylbutyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932572
3-amino-N-[2-(ethylamino)-2-oxoethyl]-5-methyl-1-benzothiophene-2-carboxamide
CID 107932202
3-amino-N-(4-amino-4-oxobutyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932219
3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide
CID 107932105

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide (CID 107932567) is 3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide is Cc1ccc2sc(C(=O)NC(C)(C)CCO)c(N)c2c1.
What is the InChIKey of 3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is XOHNZCROTQUTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-9-4-5-11-10(8-9)12(16)13(20-11)14(19)17-15(2,3)6-7-18/h4-5,8,18H,6-7,16H2,1-3H3,(H,17,19).
What are the key properties of 3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide?
3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107932567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).