4-amino-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide

C14H18N2O2S2 — CID 63291367

IUPAC4-amino-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)NC(C)Cc1cccs1
InChIInChI=1S/C14H18N2O2S2/c1-10-8-12(15)5-6-14(10)20(17,18)16-11(2)9-13-4-3-7-19-13/h3-8,11,16H,9,15H2,1-2H3
InChIKeyFNUJWFVCXSOLRZ-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.55
Rot. Bonds5

About 4-amino-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide

4-amino-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide (PubChem CID 63291367) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-amino-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
PubChem CID63291367
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name4-amino-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)NC(C)Cc1cccs1
InChIInChI=1S/C14H18N2O2S2/c1-10-8-12(15)5-6-14(10)20(17,18)16-11(2)9-13-4-3-7-19-13/h3-8,11,16H,9,15H2,1-2H3
InChIKeyFNUJWFVCXSOLRZ-UHFFFAOYSA-N
XLogP2.55
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 63291622
5-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 63291710
2-amino-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 55173103
4-amino-N-(4-hydroxybutan-2-yl)-2-methylbenzenesulfonamide
CID 83177341
2-amino-5-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide
CID 63295984
2-hydrazinyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-5-sulfonamide
CID 63292014
3-methyl-5-(1-thiophen-2-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43708771
3-(aminomethyl)-4-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 106004402
5-bromo-4-(1-thiophen-2-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 62830912
4-(aminomethyl)-2,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)furan-3-sulfonamide
CID 106004118
2-hydrazinyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide
CID 63291970
2-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)ethanesulfonamide
CID 79578342

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide (CID 63291367) is 4-amino-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide is Cc1cc(N)ccc1S(=O)(=O)NC(C)Cc1cccs1.
What is the InChIKey of 4-amino-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is FNUJWFVCXSOLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-10-8-12(15)5-6-14(10)20(17,18)16-11(2)9-13-4-3-7-19-13/h3-8,11,16H,9,15H2,1-2H3.
What are the key properties of 4-amino-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
4-amino-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 63291367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).