N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide

C13H15NO3S2 — CID 4782345

IUPACN-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCOc1cccc(CN(C)S(=O)(=O)c2cccs2)c1
InChIInChI=1S/C13H15NO3S2/c1-14(19(15,16)13-7-4-8-18-13)10-11-5-3-6-12(9-11)17-2/h3-9H,10H2,1-2H3
InChIKeyXPWKDKYXUUUMOA-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.58
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide

N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide (PubChem CID 4782345) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
PubChem CID4782345
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCOc1cccc(CN(C)S(=O)(=O)c2cccs2)c1
InChIInChI=1S/C13H15NO3S2/c1-14(19(15,16)13-7-4-8-18-13)10-11-5-3-6-12(9-11)17-2/h3-9H,10H2,1-2H3
InChIKeyXPWKDKYXUUUMOA-UHFFFAOYSA-N
XLogP2.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[2-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]phenoxy]ethyl]-N-methylthiophene-3-sulfonamide
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N-[2-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]phenoxy]ethyl]thiophene-2-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide (CID 4782345) is N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide is COc1cccc(CN(C)S(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is XPWKDKYXUUUMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S2/c1-14(19(15,16)13-7-4-8-18-13)10-11-5-3-6-12(9-11)17-2/h3-9H,10H2,1-2H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide?
N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 297.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 4782345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).