4-amino-N-[1-(4-methylphenyl)ethyl]thiophene-2-sulfonamide

C13H16N2O2S2 — CID 61299029

IUPAC4-amino-N-[1-(4-methylphenyl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2cc(N)cs2)cc1
InChIInChI=1S/C13H16N2O2S2/c1-9-3-5-11(6-4-9)10(2)15-19(16,17)13-7-12(14)8-18-13/h3-8,10,15H,14H2,1-2H3
InChIKeyPYPSSMKLJXSOQH-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.68
Rot. Bonds4

About 4-amino-N-[1-(4-methylphenyl)ethyl]thiophene-2-sulfonamide

4-amino-N-[1-(4-methylphenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 61299029) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-amino-N-[1-(4-methylphenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[1-(4-methylphenyl)ethyl]thiophene-2-sulfonamide
PubChem CID61299029
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Name4-amino-N-[1-(4-methylphenyl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2cc(N)cs2)cc1
InChIInChI=1S/C13H16N2O2S2/c1-9-3-5-11(6-4-9)10(2)15-19(16,17)13-7-12(14)8-18-13/h3-8,10,15H,14H2,1-2H3
InChIKeyPYPSSMKLJXSOQH-UHFFFAOYSA-N
XLogP2.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-(2,6-difluorophenyl)ethyl]thiophene-2-sulfonamide
CID 61299031
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide
CID 61298597
2-amino-4-fluoro-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 61126468
4-amino-N-(2-fluoro-5-methylphenyl)thiophene-2-sulfonamide
CID 61300923
3-amino-2-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 61125345
N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-2-sulfonamide
CID 43297909
N-[(1R)-1-(4-methylphenyl)ethyl]propane-2-sulfonamide
CID 81357180
4-amino-N-pent-1-yn-3-ylthiophene-2-sulfonamide
CID 106223579
N-[1-(4-iodophenyl)ethyl]-4-methylbenzenesulfonamide
CID 135004649
N-[(1S)-1-(4-methylphenyl)ethyl]ethanesulfonamide
CID 81355389
N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-sulfonamide
CID 22201168
3-hydroxy-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 81259142

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-methylphenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-[1-(4-methylphenyl)ethyl]thiophene-2-sulfonamide (CID 61299029) is 4-amino-N-[1-(4-methylphenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-[1-(4-methylphenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-[1-(4-methylphenyl)ethyl]thiophene-2-sulfonamide is Cc1ccc(C(C)NS(=O)(=O)c2cc(N)cs2)cc1.
What is the InChIKey of 4-amino-N-[1-(4-methylphenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is PYPSSMKLJXSOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-9-3-5-11(6-4-9)10(2)15-19(16,17)13-7-12(14)8-18-13/h3-8,10,15H,14H2,1-2H3.
What are the key properties of 4-amino-N-[1-(4-methylphenyl)ethyl]thiophene-2-sulfonamide?
4-amino-N-[1-(4-methylphenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 296.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-methylphenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 61299029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).