N-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide

C15H15NO3S2 — CID 110732957

IUPACN-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2cc3ccccc3o2)s1
InChIInChI=1S/C15H15NO3S2/c1-11-7-8-15(20-11)21(17,18)16(2)10-13-9-12-5-3-4-6-14(12)19-13/h3-9H,10H2,1-2H3
InChIKeyRLWQBHMJEXASDG-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.62
Rot. Bonds4

About N-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide

N-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide (PubChem CID 110732957) has the molecular formula C15H15NO3S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide
PubChem CID110732957
Molecular FormulaC15H15NO3S2
Molecular Weight321.42 g/mol
Exact Mass321.05
IUPAC NameN-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2cc3ccccc3o2)s1
InChIInChI=1S/C15H15NO3S2/c1-11-7-8-15(20-11)21(17,18)16(2)10-13-9-12-5-3-4-6-14(12)19-13/h3-9H,10H2,1-2H3
InChIKeyRLWQBHMJEXASDG-UHFFFAOYSA-N
XLogP3.62
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 47318970
2-[2-[1-benzofuran-2-ylmethyl(methyl)sulfamoyl]phenyl]-N-hydroxyacetamide
CID 18413981
N-[(2-methoxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 39793326
N-[(4-fluorophenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 47109851
N-[(4-hydroxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 54913854
2-[1-benzofuran-2-ylmethyl(methyl)amino]acetic acid;hydrochloride
CID 119032828
N-(1-benzofuran-2-ylmethyl)-N,2-dimethylpropanamide
CID 110732890
N-(3-aminophenyl)-N,5-dimethylthiophene-2-sulfonamide
CID 61296020
N'-(1-benzofuran-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 132523349
1-N-(1-benzofuran-2-ylmethyl)-1-N,4-dimethylpentane-1,3-diamine
CID 115317243
1-(1-benzofuran-2-ylmethyl)-1-hydroxy-3-methylurea;1-(1-benzofuran-2-ylmethyl)-1-hydroxyurea;urea
CID 157285283
N-[(3-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-sulfonamide
CID 43459044

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide (CID 110732957) is N-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)N(C)Cc2cc3ccccc3o2)s1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide?
The InChIKey is RLWQBHMJEXASDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S2/c1-11-7-8-15(20-11)21(17,18)16(2)10-13-9-12-5-3-4-6-14(12)19-13/h3-9H,10H2,1-2H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide?
N-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide has a molecular weight of 321.42 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 110732957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).