N-(1-aminopropan-2-yl)-5-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide

C15H20N2O2S — CID 119583657

IUPACN-(1-aminopropan-2-yl)-5-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2sc(C(=O)N(C)C(C)CN)c(C)c2c1
InChIInChI=1S/C15H20N2O2S/c1-9(8-16)17(3)15(18)14-10(2)12-7-11(19-4)5-6-13(12)20-14/h5-7,9H,8,16H2,1-4H3
InChIKeyUMRZGTUSTITXDV-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.64
Rot. Bonds4

About N-(1-aminopropan-2-yl)-5-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide

N-(1-aminopropan-2-yl)-5-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide (PubChem CID 119583657) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-5-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-5-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide
PubChem CID119583657
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-(1-aminopropan-2-yl)-5-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2sc(C(=O)N(C)C(C)CN)c(C)c2c1
InChIInChI=1S/C15H20N2O2S/c1-9(8-16)17(3)15(18)14-10(2)12-7-11(19-4)5-6-13(12)20-14/h5-7,9H,8,16H2,1-4H3
InChIKeyUMRZGTUSTITXDV-UHFFFAOYSA-N
XLogP2.64
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-5-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride
CID 119582221
3-[(5-methoxy-3-methyl-1-benzothiophene-2-carbonyl)-propan-2-ylamino]propanoic acid
CID 119207244
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
3-[ethyl-(5-methoxy-3-methyl-1-benzothiophene-2-carbonyl)amino]propanoic acid
CID 119191265
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-aminohexan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
CID 119667175
N-(1-aminopropan-2-yl)-2,4-dimethoxy-N-methylbenzamide
CID 112701391
(2S)-2-[(5-methoxy-3-methyl-1-benzothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 119360630
N-(1-aminopropan-2-yl)-2-iodo-4-methoxy-N-methylbenzamide;hydrochloride
CID 119581718

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-5-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-5-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide (CID 119583657) is N-(1-aminopropan-2-yl)-5-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-5-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-5-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide is COc1ccc2sc(C(=O)N(C)C(C)CN)c(C)c2c1.
What is the InChIKey of N-(1-aminopropan-2-yl)-5-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide?
The InChIKey is UMRZGTUSTITXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-9(8-16)17(3)15(18)14-10(2)12-7-11(19-4)5-6-13(12)20-14/h5-7,9H,8,16H2,1-4H3.
What are the key properties of N-(1-aminopropan-2-yl)-5-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide?
N-(1-aminopropan-2-yl)-5-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-5-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 119583657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).