5-methyl-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide

C18H18N2O2S2 — CID 112986153

IUPAC5-methyl-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N(C)c3ccccc3)cc2)s1
InChIInChI=1S/C18H18N2O2S2/c1-14-8-13-18(23-14)24(21,22)19-15-9-11-17(12-10-15)20(2)16-6-4-3-5-7-16/h3-13,19H,1-2H3
InChIKeyPVVJWIKEATVSCN-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.63
Rot. Bonds5

About 5-methyl-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide

5-methyl-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide (PubChem CID 112986153) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 5-methyl-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
PubChem CID112986153
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC Name5-methyl-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N(C)c3ccccc3)cc2)s1
InChIInChI=1S/C18H18N2O2S2/c1-14-8-13-18(23-14)24(21,22)19-15-9-11-17(12-10-15)20(2)16-6-4-3-5-7-16/h3-13,19H,1-2H3
InChIKeyPVVJWIKEATVSCN-UHFFFAOYSA-N
XLogP4.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986155
N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986152
5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986064
5-methyl-N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
CID 47310549
N-[4-(bromomethyl)phenyl]-5-methylthiophene-2-sulfonamide
CID 113271534
N-(9H-fluoren-2-yl)-5-methylthiophene-2-sulfonamide
CID 39948680
2-methoxy-5-methyl-N-[4-(N-methylanilino)phenyl]benzenesulfonamide
CID 112986146
3-[4-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]propanoic acid
CID 115339524
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide
CID 18092899
5-methyl-N-(3-pyrrol-1-ylphenyl)thiophene-2-sulfonamide
CID 110726306
N-[4-(2-aminoethoxy)phenyl]-5-methylthiophene-2-sulfonamide
CID 28754838
N-(3,5-dimethoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 18191077

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide (CID 112986153) is 5-methyl-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(N(C)c3ccccc3)cc2)s1.
What is the InChIKey of 5-methyl-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide?
The InChIKey is PVVJWIKEATVSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-14-8-13-18(23-14)24(21,22)19-15-9-11-17(12-10-15)20(2)16-6-4-3-5-7-16/h3-13,19H,1-2H3.
What are the key properties of 5-methyl-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide?
5-methyl-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide has a molecular weight of 358.49 g/mol, XLogP of 4.63, 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-(N-methylanilino)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 112986153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).