N-(6-methoxy-1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide

C17H17NO3S2 — CID 166448718

IUPACN-(6-methoxy-1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide
SMILESCOc1ccc2cc(N(C)S(=O)(=O)c3ccc(C)cc3)sc2c1
InChIInChI=1S/C17H17NO3S2/c1-12-4-8-15(9-5-12)23(19,20)18(2)17-10-13-6-7-14(21-3)11-16(13)22-17/h4-11H,1-3H3
InChIKeyMLAXVLKIRNMAFP-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.04
Rot. Bonds4

About N-(6-methoxy-1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide

N-(6-methoxy-1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide (PubChem CID 166448718) has the molecular formula C17H17NO3S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(6-methoxy-1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-methoxy-1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide
PubChem CID166448718
Molecular FormulaC17H17NO3S2
Molecular Weight347.46 g/mol
Exact Mass347.06
IUPAC NameN-(6-methoxy-1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide
SMILESCOc1ccc2cc(N(C)S(=O)(=O)c3ccc(C)cc3)sc2c1
InChIInChI=1S/C17H17NO3S2/c1-12-4-8-15(9-5-12)23(19,20)18(2)17-10-13-6-7-14(21-3)11-16(13)22-17/h4-11H,1-3H3
InChIKeyMLAXVLKIRNMAFP-UHFFFAOYSA-N
XLogP4.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(6-methoxy-1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide 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-[(3,4-difluorophenyl)methyl]-4-methoxy-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide
CID 57920486
4-(dimethylamino)-N-(3-methyl-1-benzothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 57920527
N-(3-prop-1-en-2-yl-1-benzothiophen-2-yl)-N-[(2,4,5-trifluoro-3-methoxyphenyl)methyl]ethanesulfonamide
CID 57920589
Methyl 2-[(3-methyl-1-benzothiophen-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]acetate
CID 59374691
N-(3-bromo-1-benzothiophen-2-yl)-N-[(3-bromo-4-methoxyphenyl)methyl]benzenesulfonamide
CID 66906804
N-(1-benzothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 66906819
Methyl 3-[(3-methyl-1-benzothiophen-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]propanoate
CID 66906883
N-[(3,4-difluorophenyl)methyl]-3-methoxy-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide
CID 66906984
N-(1-benzothiophen-2-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]benzenesulfonamide
CID 66906986
N-(1-benzothiophen-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 66907015
N-(1-benzothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 66907038
N-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 66907050

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(6-methoxy-1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide (CID 166448718) is N-(6-methoxy-1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(6-methoxy-1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(6-methoxy-1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide is COc1ccc2cc(N(C)S(=O)(=O)c3ccc(C)cc3)sc2c1.
What is the InChIKey of N-(6-methoxy-1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is MLAXVLKIRNMAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S2/c1-12-4-8-15(9-5-12)23(19,20)18(2)17-10-13-6-7-14(21-3)11-16(13)22-17/h4-11H,1-3H3.
What are the key properties of N-(6-methoxy-1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide?
N-(6-methoxy-1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 347.46 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 166448718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).