4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide

C15H20N2O2S2 — CID 79570103

IUPAC4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2c(C)cc(N)cc2C)sc1C
InChIInChI=1S/C15H20N2O2S2/c1-9-7-14(20-12(9)4)8-17-21(18,19)15-10(2)5-13(16)6-11(15)3/h5-7,17H,8,16H2,1-4H3
InChIKeyVCHAGJYPGLSFDD-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.04
Rot. Bonds4

About 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide

4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide (PubChem CID 79570103) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide
PubChem CID79570103
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2c(C)cc(N)cc2C)sc1C
InChIInChI=1S/C15H20N2O2S2/c1-9-7-14(20-12(9)4)8-17-21(18,19)15-10(2)5-13(16)6-11(15)3/h5-7,17H,8,16H2,1-4H3
InChIKeyVCHAGJYPGLSFDD-UHFFFAOYSA-N
XLogP3.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.04
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-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzenesulfonamide
CID 65246264
5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 65246698
1-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]methanesulfonamide
CID 65245746
N-[(4,5-dimethylthiophen-2-yl)methyl]propane-1-sulfonamide
CID 65245329
4-amino-3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
CID 65246067
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(methylamino)ethanesulfonamide
CID 65243947
3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-difluorobenzenesulfonamide
CID 107343635
3-amino-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
CID 65246459
4-amino-2,6-dimethyl-N-propylbenzenesulfonamide
CID 79588837
2-amino-5-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-3-sulfonamide
CID 65245319
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 65243443
4-amino-2,6-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79588681

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide (CID 79570103) is 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide is Cc1cc(CNS(=O)(=O)c2c(C)cc(N)cc2C)sc1C.
What is the InChIKey of 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide?
The InChIKey is VCHAGJYPGLSFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-9-7-14(20-12(9)4)8-17-21(18,19)15-10(2)5-13(16)6-11(15)3/h5-7,17H,8,16H2,1-4H3.
What are the key properties of 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide?
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide has a molecular weight of 324.47 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 79570103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).