1-(2-aminophenyl)-N-(1-thiophen-2-ylbutyl)methanesulfonamide

C15H20N2O2S2 — CID 62022649

IUPAC1-(2-aminophenyl)-N-(1-thiophen-2-ylbutyl)methanesulfonamide
SMILESCCCC(NS(=O)(=O)Cc1ccccc1N)c1cccs1
InChIInChI=1S/C15H20N2O2S2/c1-2-6-14(15-9-5-10-20-15)17-21(18,19)11-12-7-3-4-8-13(12)16/h3-5,7-10,14,17H,2,6,11,16H2,1H3
InChIKeyRDMSRWJIGRAJDT-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.29
Rot. Bonds7

About 1-(2-aminophenyl)-N-(1-thiophen-2-ylbutyl)methanesulfonamide

1-(2-aminophenyl)-N-(1-thiophen-2-ylbutyl)methanesulfonamide (PubChem CID 62022649) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-(1-thiophen-2-ylbutyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-(1-thiophen-2-ylbutyl)methanesulfonamide
PubChem CID62022649
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name1-(2-aminophenyl)-N-(1-thiophen-2-ylbutyl)methanesulfonamide
SMILESCCCC(NS(=O)(=O)Cc1ccccc1N)c1cccs1
InChIInChI=1S/C15H20N2O2S2/c1-2-6-14(15-9-5-10-20-15)17-21(18,19)11-12-7-3-4-8-13(12)16/h3-5,7-10,14,17H,2,6,11,16H2,1H3
InChIKeyRDMSRWJIGRAJDT-UHFFFAOYSA-N
XLogP3.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.29
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

N-(1-thiophen-2-ylpropyl)ethanesulfonamide
CID 47372817
1-(2-aminophenyl)-N-ethylmethanesulfonamide
CID 62021443
2-[2-(methylamino)-2-thiophen-2-ylethyl]aniline;dihydrochloride
CID 22414400
1-(2-aminophenyl)-N-(1-methylsulfinylpropan-2-yl)methanesulfonamide
CID 113486328
N-(2-phenyl-1-thiophen-2-ylethyl)ethanesulfonamide
CID 56791791
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
6-amino-5-chloro-N-(1-thiophen-2-ylbutyl)pyridine-3-sulfonamide
CID 64600123
1-(2-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide
CID 63010726
methyl 2-[(2-aminophenyl)methylsulfonylamino]propanoate
CID 62021871
2-[1-(sulfamoylamino)propyl]thiophene
CID 112686147
2-[(2-aminophenyl)methylsulfonylamino]-3-methylbutanamide
CID 106343817
2,5-dibromo-N-(1-thiophen-2-ylbutyl)benzenesulfonamide
CID 63420561

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-(1-thiophen-2-ylbutyl)methanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N-(1-thiophen-2-ylbutyl)methanesulfonamide (CID 62022649) is 1-(2-aminophenyl)-N-(1-thiophen-2-ylbutyl)methanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-(1-thiophen-2-ylbutyl)methanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N-(1-thiophen-2-ylbutyl)methanesulfonamide is CCCC(NS(=O)(=O)Cc1ccccc1N)c1cccs1.
What is the InChIKey of 1-(2-aminophenyl)-N-(1-thiophen-2-ylbutyl)methanesulfonamide?
The InChIKey is RDMSRWJIGRAJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-2-6-14(15-9-5-10-20-15)17-21(18,19)11-12-7-3-4-8-13(12)16/h3-5,7-10,14,17H,2,6,11,16H2,1H3.
What are the key properties of 1-(2-aminophenyl)-N-(1-thiophen-2-ylbutyl)methanesulfonamide?
1-(2-aminophenyl)-N-(1-thiophen-2-ylbutyl)methanesulfonamide has a molecular weight of 324.47 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-(1-thiophen-2-ylbutyl)methanesulfonamide is sourced from PubChem (CID 62022649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).