2-methoxy-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide

C14H17NO3S2 — CID 9190925

IUPAC2-methoxy-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)Cc1ccsc1
InChIInChI=1S/C14H17NO3S2/c1-11-4-5-13(18-3)14(8-11)20(16,17)15(2)9-12-6-7-19-10-12/h4-8,10H,9H2,1-3H3
InChIKeyZWMJTTAYYIAIQH-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.89
Rot. Bonds5

About 2-methoxy-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide

2-methoxy-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide (PubChem CID 9190925) has the molecular formula C14H17NO3S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-methoxy-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
PubChem CID9190925
Molecular FormulaC14H17NO3S2
Molecular Weight311.43 g/mol
Exact Mass311.06
IUPAC Name2-methoxy-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)Cc1ccsc1
InChIInChI=1S/C14H17NO3S2/c1-11-4-5-13(18-3)14(8-11)20(16,17)15(2)9-12-6-7-19-10-12/h4-8,10H,9H2,1-3H3
InChIKeyZWMJTTAYYIAIQH-UHFFFAOYSA-N
XLogP2.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 8797935
2-methoxy-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 8796550
N-[(4-ethoxyphenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 8795214
2-methoxy-N,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110715765
N-[(5-bromothiophen-2-yl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 8818376
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate
CID 7473070
2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 81241113
2-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N,5-dimethylbenzenesulfonamide
CID 99844494
5-bromo-N,4-dimethyl-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide
CID 79932170
N-(5-hydroxypentyl)-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 107203068
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-thiophen-3-ylpropanamide
CID 9399939
4-amino-2-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43527986

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide (CID 9190925) is 2-methoxy-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)N(C)Cc1ccsc1.
What is the InChIKey of 2-methoxy-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The InChIKey is ZWMJTTAYYIAIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S2/c1-11-4-5-13(18-3)14(8-11)20(16,17)15(2)9-12-6-7-19-10-12/h4-8,10H,9H2,1-3H3.
What are the key properties of 2-methoxy-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
2-methoxy-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 9190925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).