N-(1-aminohexan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide

C17H24N2O2S — CID 119667175

IUPACN-(1-aminohexan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
SMILESCCCCC(CN)NC(=O)c1sc2ccc(OC)cc2c1C
InChIInChI=1S/C17H24N2O2S/c1-4-5-6-12(10-18)19-17(20)16-11(2)14-9-13(21-3)7-8-15(14)22-16/h7-9,12H,4-6,10,18H2,1-3H3,(H,19,20)
InChIKeyRZKKEXXJXCKUST-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.47
Rot. Bonds7

About N-(1-aminohexan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide

N-(1-aminohexan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 119667175) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID119667175
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC NameN-(1-aminohexan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
SMILESCCCCC(CN)NC(=O)c1sc2ccc(OC)cc2c1C
InChIInChI=1S/C17H24N2O2S/c1-4-5-6-12(10-18)19-17(20)16-11(2)14-9-13(21-3)7-8-15(14)22-16/h7-9,12H,4-6,10,18H2,1-3H3,(H,19,20)
InChIKeyRZKKEXXJXCKUST-UHFFFAOYSA-N
XLogP3.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
CID 119587432
N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
CID 119997904
N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride
CID 119997903
(2S)-2-[(5-methoxy-3-methyl-1-benzothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 119360630
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
CID 119607591
(E)-2-[(5-methoxy-3-methyl-1-benzothiophene-2-carbonyl)amino]hex-4-enoic acid
CID 120692557
N-(1-aminopropan-2-yl)-5-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide
CID 119583657
5-methoxy-3-methyl-N-[2-(methylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 119502573
2-cyclopropyl-2-[(5-methoxy-3-methyl-1-benzothiophene-2-carbonyl)amino]acetic acid
CID 119213549
N-(1-aminohexan-2-yl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119664956
N-(1-aminohexan-2-yl)-3-methylthiophene-2-carboxamide
CID 80697346
N-(1-aminohexan-2-yl)-5-methoxy-2-nitrobenzamide
CID 119665416

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide (CID 119667175) is N-(1-aminohexan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide is CCCCC(CN)NC(=O)c1sc2ccc(OC)cc2c1C.
What is the InChIKey of N-(1-aminohexan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is RZKKEXXJXCKUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-4-5-6-12(10-18)19-17(20)16-11(2)14-9-13(21-3)7-8-15(14)22-16/h7-9,12H,4-6,10,18H2,1-3H3,(H,19,20).
What are the key properties of N-(1-aminohexan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide?
N-(1-aminohexan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 119667175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).