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

C14H18N2O2S — CID 79267136

IUPAC3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-benzothiophene-2-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1sc2ccccc2c1N
InChIInChI=1S/C14H18N2O2S/c1-8(2)10(7-17)16-14(18)13-12(15)9-5-3-4-6-11(9)19-13/h3-6,8,10,17H,7,15H2,1-2H3,(H,16,18)/t10-/m1/s1
InChIKeyBLPXCMZCBNYJOP-SNVBAGLBSA-N
MW278.38 g/mol
LogP2.23
Rot. Bonds4

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

3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 79267136) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID79267136
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-benzothiophene-2-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1sc2ccccc2c1N
InChIInChI=1S/C14H18N2O2S/c1-8(2)10(7-17)16-14(18)13-12(15)9-5-3-4-6-11(9)19-13/h3-6,8,10,17H,7,15H2,1-2H3,(H,16,18)/t10-/m1/s1
InChIKeyBLPXCMZCBNYJOP-SNVBAGLBSA-N
XLogP2.23
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-benzothiophene-2-carboxamide
CID 79267384
3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1-benzothiophene-2-carboxamide
CID 81301247
3-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 81301246
3-amino-4-bromo-N-(1-hydroxy-3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114889220
3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1-benzothiophene-2-carboxamide
CID 106358008
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 106162895
3-amino-5-bromo-N-(1-hydroxy-4-methylpentan-3-yl)-1-benzothiophene-2-carboxamide
CID 106357993
N-(1-hydroxy-3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 79252054
1-(3-amino-1-benzothiophen-2-yl)ethanone
CID 3434239
3-amino-N-(3-methylbut-2-enyl)-1-benzothiophene-2-carboxamide
CID 114157051
3-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-1-benzothiophene-2-carboxamide
CID 106050602
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 115357356

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-benzothiophene-2-carboxamide (CID 79267136) is 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-benzothiophene-2-carboxamide is CC(C)[C@@H](CO)NC(=O)c1sc2ccccc2c1N.
What is the InChIKey of 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is BLPXCMZCBNYJOP-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-8(2)10(7-17)16-14(18)13-12(15)9-5-3-4-6-11(9)19-13/h3-6,8,10,17H,7,15H2,1-2H3,(H,16,18)/t10-/m1/s1.
What are the key properties of 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-benzothiophene-2-carboxamide?
3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 79267136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).