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

C15H20N2O2S — CID 119997904

IUPACN-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2sc(C(=O)NCC(C)CN)c(C)c2c1
InChIInChI=1S/C15H20N2O2S/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)
InChIKeyMHHOHDAGKIVJLG-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.54
Rot. Bonds5

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

N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 119997904) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID119997904
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2sc(C(=O)NCC(C)CN)c(C)c2c1
InChIInChI=1S/C15H20N2O2S/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)
InChIKeyMHHOHDAGKIVJLG-UHFFFAOYSA-N
XLogP2.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.54
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;hydrochloride
CID 119997903
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
(2S)-2-[(5-methoxy-3-methyl-1-benzothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 119360630
N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide
CID 119996618
N-(3-amino-2-methylpropyl)-3,5-dimethoxybenzamide;hydrochloride
CID 119996429
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
5-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 119512740

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide (CID 119997904) is N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide is COc1ccc2sc(C(=O)NCC(C)CN)c(C)c2c1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is MHHOHDAGKIVJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/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).
What are the key properties of N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide?
N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 2.54, 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 is sourced from PubChem (CID 119997904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).