N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride

C15H21ClN2O2S — CID 119997903

IUPACN-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCOc1ccc2sc(C(=O)NCC(C)CN)c(C)c2c1.Cl
InChIInChI=1S/C15H20N2O2S.ClH/c1-9(7-16)8-17-15(18)14-10(2)12-6-11(19-3)4-5-13(12)20-14;/h4-6,9H,7-8,16H2,1-3H3,(H,17,18);1H
InChIKeyKBZCDEADQKQBJS-UHFFFAOYSA-N
MW328.87 g/mol
LogP2.96
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride

N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride (PubChem CID 119997903) has the molecular formula C15H21ClN2O2S and a molecular weight of 328.87 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride
PubChem CID119997903
Molecular FormulaC15H21ClN2O2S
Molecular Weight328.87 g/mol
Exact Mass328.10
IUPAC NameN-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCOc1ccc2sc(C(=O)NCC(C)CN)c(C)c2c1.Cl
InChIInChI=1S/C15H20N2O2S.ClH/c1-9(7-16)8-17-15(18)14-10(2)12-6-11(19-3)4-5-13(12)20-14;/h4-6,9H,7-8,16H2,1-3H3,(H,17,18);1H
InChIKeyKBZCDEADQKQBJS-UHFFFAOYSA-N
XLogP2.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
CID 119997904
5-methoxy-3-methyl-N-[2-(methylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 119502573
N-(1-amino-4-methylpentan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
CID 119587432
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
CID 119607591
N-(1-aminopropan-2-yl)-5-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide
CID 119583657
N-(1-aminohexan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
CID 119667175
N-(3-amino-2-methylpropyl)-3,5-dimethoxybenzamide;hydrochloride
CID 119996429
(2S)-2-[(5-methoxy-3-methyl-1-benzothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 119360630
N-[2-(aminomethyl)cyclopentyl]-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride
CID 119603360
N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide
CID 119996618
3-amino-6-methoxy-N-(3-methoxy-2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 81301548
3-[(5-methoxy-3-methyl-1-benzothiophene-2-carbonyl)-propan-2-ylamino]propanoic acid
CID 119207244

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride (CID 119997903) is N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride is COc1ccc2sc(C(=O)NCC(C)CN)c(C)c2c1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride?
The InChIKey is KBZCDEADQKQBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S.ClH/c1-9(7-16)8-17-15(18)14-10(2)12-6-11(19-3)4-5-13(12)20-14;/h4-6,9H,7-8,16H2,1-3H3,(H,17,18);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride?
N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride has a molecular weight of 328.87 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119997903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).