N,6-dimethoxy-N,3-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide

C13H17NO3S — CID 89345312

IUPACN,6-dimethoxy-N,3-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2c(c1)SC(C(=O)N(C)OC)C2C
InChIInChI=1S/C13H17NO3S/c1-8-10-6-5-9(16-3)7-11(10)18-12(8)13(15)14(2)17-4/h5-8,12H,1-4H3
InChIKeyGNKGXSZJJGRRCM-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.29
Rot. Bonds3

About N,6-dimethoxy-N,3-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide

N,6-dimethoxy-N,3-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 89345312) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is N,6-dimethoxy-N,3-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN,6-dimethoxy-N,3-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID89345312
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC NameN,6-dimethoxy-N,3-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2c(c1)SC(C(=O)N(C)OC)C2C
InChIInChI=1S/C13H17NO3S/c1-8-10-6-5-9(16-3)7-11(10)18-12(8)13(15)14(2)17-4/h5-8,12H,1-4H3
InChIKeyGNKGXSZJJGRRCM-UHFFFAOYSA-N
XLogP2.29
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,6-dimethoxy-N,3-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methoxy-2-(3-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 22347517
N-methoxy-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide
CID 97314076
N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide
CID 23003326
6-methoxy-N,N,1-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110314273
N-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide
CID 21364620
7-methoxy-4-methyl-3,4-dihydro-2H-thiochromene
CID 121216944
N-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N,3,3-trimethylcyclopentane-1-carboxamide
CID 21364619
5-methoxy-1H-indene-1-carboxylic acid
CID 82158116
methyl 6,13-dimethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-2-carboxylate
CID 83985276
2-hydroperoxy-7-methoxynaphthalene
CID 142950271
N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 54257265
(6bR,12aS)-10-methoxy-6b,12a-dihydroacenaphthyleno[1,2-b][1,4]benzoxathiine
CID 102022120

Frequently Asked Questions

What is the IUPAC name of N,6-dimethoxy-N,3-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N,6-dimethoxy-N,3-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 89345312) is N,6-dimethoxy-N,3-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N,6-dimethoxy-N,3-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N,6-dimethoxy-N,3-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide is COc1ccc2c(c1)SC(C(=O)N(C)OC)C2C.
What is the InChIKey of N,6-dimethoxy-N,3-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is GNKGXSZJJGRRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-8-10-6-5-9(16-3)7-11(10)18-12(8)13(15)14(2)17-4/h5-8,12H,1-4H3.
What are the key properties of N,6-dimethoxy-N,3-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
N,6-dimethoxy-N,3-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethoxy-N,3-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 89345312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).