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

C14H18N2O2S — CID 107932496

IUPAC3-amino-N-(4-hydroxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(=O)NC(C)CCO)c(N)c2c1
InChIInChI=1S/C14H18N2O2S/c1-8-3-4-11-10(7-8)12(15)13(19-11)14(18)16-9(2)5-6-17/h3-4,7,9,17H,5-6,15H2,1-2H3,(H,16,18)
InChIKeyWIYGIUOKHJUQTD-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.29
Rot. Bonds4

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

3-amino-N-(4-hydroxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide (PubChem CID 107932496) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-amino-N-(4-hydroxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-hydroxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
PubChem CID107932496
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name3-amino-N-(4-hydroxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(=O)NC(C)CCO)c(N)c2c1
InChIInChI=1S/C14H18N2O2S/c1-8-3-4-11-10(7-8)12(15)13(19-11)14(18)16-9(2)5-6-17/h3-4,7,9,17H,5-6,15H2,1-2H3,(H,16,18)
InChIKeyWIYGIUOKHJUQTD-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4-methoxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932413
3-amino-5-chloro-N-(4-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 83178744
3-amino-5-bromo-N-(4-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114896733
3-amino-5-methyl-N-(4-methylhexan-2-yl)-1-benzothiophene-2-carboxamide
CID 107932423
3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide
CID 107932105
3-amino-6-bromo-N-(4-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114908078
3-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-1-benzothiophene-2-carboxamide
CID 107932269
3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932567
3-amino-5-bromo-N-(1-hydroxy-4-methylpentan-3-yl)-1-benzothiophene-2-carboxamide
CID 106357993
3-amino-N-(2-methoxypropyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932602
3-amino-N-(2-ethylbutyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932572
3-amino-N-(4-hydroxybutan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107113474

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-hydroxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(4-hydroxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide (CID 107932496) is 3-amino-N-(4-hydroxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-hydroxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-hydroxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide is Cc1ccc2sc(C(=O)NC(C)CCO)c(N)c2c1.
What is the InChIKey of 3-amino-N-(4-hydroxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is WIYGIUOKHJUQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-8-3-4-11-10(7-8)12(15)13(19-11)14(18)16-9(2)5-6-17/h3-4,7,9,17H,5-6,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-N-(4-hydroxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide?
3-amino-N-(4-hydroxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.29, 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-hydroxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107932496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).