3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide

C15H20N2O2S2 — CID 106006828

IUPAC3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2c(C)ccc(N)c2C)s1
InChIInChI=1S/C15H20N2O2S2/c1-4-12-6-7-13(20-12)9-17-21(18,19)15-10(2)5-8-14(16)11(15)3/h5-8,17H,4,9,16H2,1-3H3
InChIKeyVLOQGDMFTDCRDV-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.99
Rot. Bonds5

About 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide

3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide (PubChem CID 106006828) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide
PubChem CID106006828
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2c(C)ccc(N)c2C)s1
InChIInChI=1S/C15H20N2O2S2/c1-4-12-6-7-13(20-12)9-17-21(18,19)15-10(2)5-8-14(16)11(15)3/h5-8,17H,4,9,16H2,1-3H3
InChIKeyVLOQGDMFTDCRDV-UHFFFAOYSA-N
XLogP2.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.99
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

3-amino-2,6-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 61280403
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 106006813
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3,6-dimethylbenzenesulfonamide
CID 103171540
5-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-3-methylbenzenesulfonamide
CID 106006763
3-amino-5-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 106006788
2-amino-5-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006795
N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106094597
3-amino-2,6-dimethyl-N-octylbenzenesulfonamide
CID 115566101
5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006826
3-amino-N-[3-(methanesulfonamido)propyl]-2,6-dimethylbenzenesulfonamide
CID 106333253
4-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006773
2-amino-N-[(5-ethylthiophen-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 106006794

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide (CID 106006828) is 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide is CCc1ccc(CNS(=O)(=O)c2c(C)ccc(N)c2C)s1.
What is the InChIKey of 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide?
The InChIKey is VLOQGDMFTDCRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-4-12-6-7-13(20-12)9-17-21(18,19)15-10(2)5-8-14(16)11(15)3/h5-8,17H,4,9,16H2,1-3H3.
What are the key properties of 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide?
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide has a molecular weight of 324.47 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 106006828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).