3-amino-4-ethyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide

C14H19N3O2S2 — CID 63843263

IUPAC3-amino-4-ethyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)Cc2scnc2C)cc1N
InChIInChI=1S/C14H19N3O2S2/c1-4-11-5-6-12(7-13(11)15)21(18,19)17(3)8-14-10(2)16-9-20-14/h5-7,9H,4,8,15H2,1-3H3
InChIKeyJXWWJOJRJZYZPX-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.42
Rot. Bonds5

About 3-amino-4-ethyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide

3-amino-4-ethyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 63843263) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 3-amino-4-ethyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-ethyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
PubChem CID63843263
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name3-amino-4-ethyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)Cc2scnc2C)cc1N
InChIInChI=1S/C14H19N3O2S2/c1-4-11-5-6-12(7-13(11)15)21(18,19)17(3)8-14-10(2)16-9-20-14/h5-7,9H,4,8,15H2,1-3H3
InChIKeyJXWWJOJRJZYZPX-UHFFFAOYSA-N
XLogP2.42
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63842225
3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 55262102
3-chloro-4-(hydroxymethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 107090790
4-hydrazinyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63837844
3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 81258946
3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-sulfonamide
CID 103306091
2-amino-N,3,6-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 103171520
5-amino-2,4-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63843262
4-amino-2,6-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63841886
5-amino-N,2,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63842918
3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide
CID 43257998
2-amino-4,6-dibromo-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63843936

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-4-ethyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (CID 63843263) is 3-amino-4-ethyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-ethyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-4-ethyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)N(C)Cc2scnc2C)cc1N.
What is the InChIKey of 3-amino-4-ethyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is JXWWJOJRJZYZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-4-11-5-6-12(7-13(11)15)21(18,19)17(3)8-14-10(2)16-9-20-14/h5-7,9H,4,8,15H2,1-3H3.
What are the key properties of 3-amino-4-ethyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
3-amino-4-ethyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 63843263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).