1-(2-aminophenyl)-N-[(5-ethylthiophen-2-yl)methyl]methanesulfonamide

C14H18N2O2S2 — CID 106006785

IUPAC1-(2-aminophenyl)-N-[(5-ethylthiophen-2-yl)methyl]methanesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)Cc2ccccc2N)s1
InChIInChI=1S/C14H18N2O2S2/c1-2-12-7-8-13(19-12)9-16-20(17,18)10-11-5-3-4-6-14(11)15/h3-8,16H,2,9-10,15H2,1H3
InChIKeyKIKORTBDKRHXBU-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.51
Rot. Bonds6

About 1-(2-aminophenyl)-N-[(5-ethylthiophen-2-yl)methyl]methanesulfonamide

1-(2-aminophenyl)-N-[(5-ethylthiophen-2-yl)methyl]methanesulfonamide (PubChem CID 106006785) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-[(5-ethylthiophen-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-[(5-ethylthiophen-2-yl)methyl]methanesulfonamide
PubChem CID106006785
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name1-(2-aminophenyl)-N-[(5-ethylthiophen-2-yl)methyl]methanesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)Cc2ccccc2N)s1
InChIInChI=1S/C14H18N2O2S2/c1-2-12-7-8-13(19-12)9-16-20(17,18)10-11-5-3-4-6-14(11)15/h3-8,16H,2,9-10,15H2,1H3
InChIKeyKIKORTBDKRHXBU-UHFFFAOYSA-N
XLogP2.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.51
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

1-(2-aminophenyl)-N-ethylmethanesulfonamide
CID 62021443
N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)benzenesulfonamide
CID 106094652
1-(2-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 62022430
1-(2-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 62020325
1-(2-aminophenyl)-N-(1,2-oxazol-3-ylmethyl)methanesulfonamide
CID 81169954
N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxybenzenesulfonamide
CID 106011763
5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006826
2-[(2-aminophenyl)methylsulfonylamino]acetamide
CID 62021826
N-[(2-aminophenyl)methyl]-1-methylsulfonylmethanesulfonamide
CID 82840479
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide
CID 106006828
1-(2-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanesulfonamide
CID 82882627
2-ethylaniline;sulfuric acid
CID 67820112

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-[(5-ethylthiophen-2-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N-[(5-ethylthiophen-2-yl)methyl]methanesulfonamide (CID 106006785) is 1-(2-aminophenyl)-N-[(5-ethylthiophen-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-[(5-ethylthiophen-2-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N-[(5-ethylthiophen-2-yl)methyl]methanesulfonamide is CCc1ccc(CNS(=O)(=O)Cc2ccccc2N)s1.
What is the InChIKey of 1-(2-aminophenyl)-N-[(5-ethylthiophen-2-yl)methyl]methanesulfonamide?
The InChIKey is KIKORTBDKRHXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-2-12-7-8-13(19-12)9-16-20(17,18)10-11-5-3-4-6-14(11)15/h3-8,16H,2,9-10,15H2,1H3.
What are the key properties of 1-(2-aminophenyl)-N-[(5-ethylthiophen-2-yl)methyl]methanesulfonamide?
1-(2-aminophenyl)-N-[(5-ethylthiophen-2-yl)methyl]methanesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-[(5-ethylthiophen-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 106006785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).