N-[(2-methoxy-5-methylphenyl)methyl]thiophene-2-sulfonamide

C13H15NO3S2 — CID 35606425

IUPACN-[(2-methoxy-5-methylphenyl)methyl]thiophene-2-sulfonamide
SMILESCOc1ccc(C)cc1CNS(=O)(=O)c1cccs1
InChIInChI=1S/C13H15NO3S2/c1-10-5-6-12(17-2)11(8-10)9-14-19(15,16)13-4-3-7-18-13/h3-8,14H,9H2,1-2H3
InChIKeyDWNVLLOTQUAKNF-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.54
Rot. Bonds5

About N-[(2-methoxy-5-methylphenyl)methyl]thiophene-2-sulfonamide

N-[(2-methoxy-5-methylphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 35606425) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(2-methoxy-5-methylphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-methoxy-5-methylphenyl)methyl]thiophene-2-sulfonamide
PubChem CID35606425
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC NameN-[(2-methoxy-5-methylphenyl)methyl]thiophene-2-sulfonamide
SMILESCOc1ccc(C)cc1CNS(=O)(=O)c1cccs1
InChIInChI=1S/C13H15NO3S2/c1-10-5-6-12(17-2)11(8-10)9-14-19(15,16)13-4-3-7-18-13/h3-8,14H,9H2,1-2H3
InChIKeyDWNVLLOTQUAKNF-UHFFFAOYSA-N
XLogP2.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbenzenesulfonamide
CID 110779866
N-[(2-methoxy-5-methylphenyl)methyl]-2-methylbenzenesulfonamide
CID 110779879
N-[(3-chloro-4-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 110780125
2-[(dimethylsulfamoylamino)methyl]-1-methoxy-4-methylbenzene
CID 35606173
(2S)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 31716394
4-[(2-methoxy-5-methylphenyl)methylsulfamoyl]benzoic acid
CID 110779875
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 110789678
N-[2-methoxy-5-[(thiophen-2-ylsulfonylamino)methyl]phenyl]acetamide
CID 110783971
N-[(2-methoxy-5-methylphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 35606688
N-[(2-methoxy-5-methylphenyl)methyl]-3-nitrobenzenesulfonamide
CID 110779880
N-(2-methoxy-5-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 22430563
N-[2-(2,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 110601518

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]thiophene-2-sulfonamide (CID 35606425) is N-[(2-methoxy-5-methylphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2-methoxy-5-methylphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(2-methoxy-5-methylphenyl)methyl]thiophene-2-sulfonamide is COc1ccc(C)cc1CNS(=O)(=O)c1cccs1.
What is the InChIKey of N-[(2-methoxy-5-methylphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is DWNVLLOTQUAKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S2/c1-10-5-6-12(17-2)11(8-10)9-14-19(15,16)13-4-3-7-18-13/h3-8,14H,9H2,1-2H3.
What are the key properties of N-[(2-methoxy-5-methylphenyl)methyl]thiophene-2-sulfonamide?
N-[(2-methoxy-5-methylphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 297.40 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-methylphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 35606425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).