3-amino-6-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide

C14H17ClN2O2S — CID 79386291

IUPAC3-amino-6-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1sc2cc(Cl)ccc2c1N
InChIInChI=1S/C14H17ClN2O2S/c1-14(2,19)7-17(3)13(18)12-11(16)9-5-4-8(15)6-10(9)20-12/h4-6,19H,7,16H2,1-3H3
InChIKeyIFTAZMSAXPHAQP-UHFFFAOYSA-N
MW312.82 g/mol
LogP2.98
Rot. Bonds3

About 3-amino-6-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide

3-amino-6-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide (PubChem CID 79386291) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is 3-amino-6-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide
PubChem CID79386291
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC Name3-amino-6-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1sc2cc(Cl)ccc2c1N
InChIInChI=1S/C14H17ClN2O2S/c1-14(2,19)7-17(3)13(18)12-11(16)9-5-4-8(15)6-10(9)20-12/h4-6,19H,7,16H2,1-3H3
InChIKeyIFTAZMSAXPHAQP-UHFFFAOYSA-N
XLogP2.98
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 79385439
3-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 79380356
4-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79290471
3,6-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-benzothiophene-2-carboxamide
CID 112792900
3-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932442
4-[(3,6-dichloro-1-benzothiophene-2-carbonyl)-methylamino]butanoic acid
CID 43240299
(3-amino-6-chloro-1-benzothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106674345
4-amino-3,5-difluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79385577
3-amino-6-bromo-N-(5-hydroxypentyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 107207352
3,6-dichloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 27788256
3-amino-6-chloro-N-hex-5-ynyl-1-benzothiophene-2-carboxamide
CID 106215539
3-amino-5-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-1-benzothiophene-2-carboxamide
CID 115366289

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-6-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide (CID 79386291) is 3-amino-6-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-6-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-6-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide is CN(CC(C)(C)O)C(=O)c1sc2cc(Cl)ccc2c1N.
What is the InChIKey of 3-amino-6-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is IFTAZMSAXPHAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S/c1-14(2,19)7-17(3)13(18)12-11(16)9-5-4-8(15)6-10(9)20-12/h4-6,19H,7,16H2,1-3H3.
What are the key properties of 3-amino-6-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide?
3-amino-6-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 312.82 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 79386291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).