N-(3-benzyl-4-methoxyphenyl)thiophene-2-sulfonamide

C18H17NO3S2 — CID 27301138

IUPACN-(3-benzyl-4-methoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccs2)cc1Cc1ccccc1
InChIInChI=1S/C18H17NO3S2/c1-22-17-10-9-16(19-24(20,21)18-8-5-11-23-18)13-15(17)12-14-6-3-2-4-7-14/h2-11,13,19H,12H2,1H3
InChIKeyLHPWEVVYFXXEDJ-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.15
Rot. Bonds6

About N-(3-benzyl-4-methoxyphenyl)thiophene-2-sulfonamide

N-(3-benzyl-4-methoxyphenyl)thiophene-2-sulfonamide (PubChem CID 27301138) has the molecular formula C18H17NO3S2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(3-benzyl-4-methoxyphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-benzyl-4-methoxyphenyl)thiophene-2-sulfonamide
PubChem CID27301138
Molecular FormulaC18H17NO3S2
Molecular Weight359.47 g/mol
Exact Mass359.06
IUPAC NameN-(3-benzyl-4-methoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccs2)cc1Cc1ccccc1
InChIInChI=1S/C18H17NO3S2/c1-22-17-10-9-16(19-24(20,21)18-8-5-11-23-18)13-15(17)12-14-6-3-2-4-7-14/h2-11,13,19H,12H2,1H3
InChIKeyLHPWEVVYFXXEDJ-UHFFFAOYSA-N
XLogP4.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-benzyl-4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 27301181
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]thiophene-2-sulfonamide
CID 8519544
N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986152
2-benzyl-N-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide
CID 70117489
N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 15997618
N-(3-benzyl-4-methoxyphenyl)-5-sulfamoylthiophene-3-carboxamide
CID 134045577
4-methoxy-3-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride
CID 16771255
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113027386
N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]thiophene-2-sulfonamide
CID 112983618
N-[4-[benzyl(methyl)amino]phenyl]thiophene-2-sulfonamide
CID 112982346
N-[3-[[3-benzyl-4-(difluoromethoxy)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide
CID 25352955
N-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
CID 110777493

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-4-methoxyphenyl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-benzyl-4-methoxyphenyl)thiophene-2-sulfonamide (CID 27301138) is N-(3-benzyl-4-methoxyphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-benzyl-4-methoxyphenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-benzyl-4-methoxyphenyl)thiophene-2-sulfonamide is COc1ccc(NS(=O)(=O)c2cccs2)cc1Cc1ccccc1.
What is the InChIKey of N-(3-benzyl-4-methoxyphenyl)thiophene-2-sulfonamide?
The InChIKey is LHPWEVVYFXXEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S2/c1-22-17-10-9-16(19-24(20,21)18-8-5-11-23-18)13-15(17)12-14-6-3-2-4-7-14/h2-11,13,19H,12H2,1H3.
What are the key properties of N-(3-benzyl-4-methoxyphenyl)thiophene-2-sulfonamide?
N-(3-benzyl-4-methoxyphenyl)thiophene-2-sulfonamide has a molecular weight of 359.47 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-4-methoxyphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 27301138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).