3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1-benzothiophene-2-carboxamide

C15H20N2O3S — CID 81301247

IUPAC3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2c(N)c(C(=O)N[C@H](CO)C(C)C)sc2c1
InChIInChI=1S/C15H20N2O3S/c1-8(2)11(7-18)17-15(19)14-13(16)10-5-4-9(20-3)6-12(10)21-14/h4-6,8,11,18H,7,16H2,1-3H3,(H,17,19)/t11-/m1/s1
InChIKeyHKVKTUJFULOKOA-LLVKDONJSA-N
MW308.40 g/mol
LogP2.24
Rot. Bonds5

About 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1-benzothiophene-2-carboxamide

3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1-benzothiophene-2-carboxamide (PubChem CID 81301247) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1-benzothiophene-2-carboxamide
PubChem CID81301247
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2c(N)c(C(=O)N[C@H](CO)C(C)C)sc2c1
InChIInChI=1S/C15H20N2O3S/c1-8(2)11(7-18)17-15(19)14-13(16)10-5-4-9(20-3)6-12(10)21-14/h4-6,8,11,18H,7,16H2,1-3H3,(H,17,19)/t11-/m1/s1
InChIKeyHKVKTUJFULOKOA-LLVKDONJSA-N
XLogP2.24
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 81301246
3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-benzothiophene-2-carboxamide
CID 79267136
3-amino-N-but-3-yn-2-yl-6-methoxy-1-benzothiophene-2-carboxamide
CID 114420596
3-amino-N-(1-cyclopropylethyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 81309556
3-amino-5-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-benzothiophene-2-carboxamide
CID 79267384
3-amino-6-methoxy-N-(3-methoxy-2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 81301548
3-amino-6-methoxy-1-benzothiophene-2-carboxylic acid
CID 57099213
3-amino-N-(cyclopentylmethyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 81300971
3-amino-N-(2-hydroxyethyl)-6-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 81301398
3-amino-4-bromo-N-(1-hydroxy-3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114889220
3-amino-6-methoxy-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 81302164
3-amino-6-methoxy-N-(1-methylpyrazol-3-yl)-1-benzothiophene-2-carboxamide
CID 81301403

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1-benzothiophene-2-carboxamide (CID 81301247) is 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1-benzothiophene-2-carboxamide is COc1ccc2c(N)c(C(=O)N[C@H](CO)C(C)C)sc2c1.
What is the InChIKey of 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1-benzothiophene-2-carboxamide?
The InChIKey is HKVKTUJFULOKOA-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-8(2)11(7-18)17-15(19)14-13(16)10-5-4-9(20-3)6-12(10)21-14/h4-6,8,11,18H,7,16H2,1-3H3,(H,17,19)/t11-/m1/s1.
What are the key properties of 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1-benzothiophene-2-carboxamide?
3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1-benzothiophene-2-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 81301247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).