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

C14H18N2O2S2 — CID 65246698

IUPAC5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)NCc1cc(C)c(C)s1
InChIInChI=1S/C14H18N2O2S2/c1-9-4-5-12(15)7-14(9)20(17,18)16-8-13-6-10(2)11(3)19-13/h4-7,16H,8,15H2,1-3H3
InChIKeyZVPYPQTUWUNZOU-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.73
Rot. Bonds4

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

5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide (PubChem CID 65246698) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide
PubChem CID65246698
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)NCc1cc(C)c(C)s1
InChIInChI=1S/C14H18N2O2S2/c1-9-4-5-12(15)7-14(9)20(17,18)16-8-13-6-10(2)11(3)19-13/h4-7,16H,8,15H2,1-3H3
InChIKeyZVPYPQTUWUNZOU-UHFFFAOYSA-N
XLogP2.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.73
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-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide
CID 79570103
3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-difluorobenzenesulfonamide
CID 107343635
5-amino-N-[(4-ethylphenyl)methyl]-2-methylbenzenesulfonamide
CID 106899180
3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzenesulfonamide
CID 65246264
5-amino-2-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 54936764
3-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylbenzene-1,3-diamine
CID 65246174
5-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106413894
2-amino-5-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-3-sulfonamide
CID 65245319
4-amino-3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
CID 65246067
3-amino-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
CID 65246459
5-amino-N-(2-ethoxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 114940395
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 65243443

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide (CID 65246698) is 5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide is Cc1ccc(N)cc1S(=O)(=O)NCc1cc(C)c(C)s1.
What is the InChIKey of 5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide?
The InChIKey is ZVPYPQTUWUNZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-9-4-5-12(15)7-14(9)20(17,18)16-8-13-6-10(2)11(3)19-13/h4-7,16H,8,15H2,1-3H3.
What are the key properties of 5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide?
5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 65246698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).