5-methyl-N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide

C14H17NO3S2 — CID 47310549

IUPAC5-methyl-N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)s1
InChIInChI=1S/C14H17NO3S2/c1-10(2)18-13-7-5-12(6-8-13)15-20(16,17)14-9-4-11(3)19-14/h4-10,15H,1-3H3
InChIKeyLAZSIXQEBXKXLU-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.64
Rot. Bonds5

About 5-methyl-N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide

5-methyl-N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide (PubChem CID 47310549) has the molecular formula C14H17NO3S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 5-methyl-N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
PubChem CID47310549
Molecular FormulaC14H17NO3S2
Molecular Weight311.43 g/mol
Exact Mass311.06
IUPAC Name5-methyl-N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)s1
InChIInChI=1S/C14H17NO3S2/c1-10(2)18-13-7-5-12(6-8-13)15-20(16,17)14-9-4-11(3)19-14/h4-10,15H,1-3H3
InChIKeyLAZSIXQEBXKXLU-UHFFFAOYSA-N
XLogP3.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
CID 5002728
N-[4-(2-aminoethoxy)phenyl]-5-methylthiophene-2-sulfonamide
CID 28754838
5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986064
3-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 51115560
N-(3,5-dimethoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 18191077
N-[4-(bromomethyl)phenyl]-5-methylthiophene-2-sulfonamide
CID 113271534
5-methyl-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986153
5-methyl-N-[4-(prop-2-enylamino)phenyl]thiophene-2-sulfonamide
CID 112980180
5-methyl-N-[4-(pentylamino)phenyl]thiophene-2-sulfonamide
CID 112985267
5-methyl-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide
CID 112502723
N-[4-(ethylaminomethyl)phenyl]-5-methylthiophene-2-sulfonamide
CID 106911287
N-(3,5-dichlorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191064

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide (CID 47310549) is 5-methyl-N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)s1.
What is the InChIKey of 5-methyl-N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide?
The InChIKey is LAZSIXQEBXKXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S2/c1-10(2)18-13-7-5-12(6-8-13)15-20(16,17)14-9-4-11(3)19-14/h4-10,15H,1-3H3.
What are the key properties of 5-methyl-N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide?
5-methyl-N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide has a molecular weight of 311.43 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 47310549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).