3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-phenylbenzamide

C19H19N3O3S2 — CID 130358355

IUPAC3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-phenylbenzamide
SMILESCCNC(=O)c1cc(-c2ccccc2)cc(S(=O)(=O)c2cnc(CN)s2)c1
InChIInChI=1S/C19H19N3O3S2/c1-2-21-19(23)15-8-14(13-6-4-3-5-7-13)9-16(10-15)27(24,25)18-12-22-17(11-20)26-18/h3-10,12H,2,11,20H2,1H3,(H,21,23)
InChIKeyOAJODPVVZBYUFR-UHFFFAOYSA-N
MW401.51 g/mol
LogP2.85
Rot. Bonds6

About 3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-phenylbenzamide

3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-phenylbenzamide (PubChem CID 130358355) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-phenylbenzamide.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-phenylbenzamide
PubChem CID130358355
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC Name3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-phenylbenzamide
SMILESCCNC(=O)c1cc(-c2ccccc2)cc(S(=O)(=O)c2cnc(CN)s2)c1
InChIInChI=1S/C19H19N3O3S2/c1-2-21-19(23)15-8-14(13-6-4-3-5-7-13)9-16(10-15)27(24,25)18-12-22-17(11-20)26-18/h3-10,12H,2,11,20H2,1H3,(H,21,23)
InChIKeyOAJODPVVZBYUFR-UHFFFAOYSA-N
XLogP2.85
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-phenylbenzamide?
The IUPAC name of 3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-phenylbenzamide (CID 130358355) is 3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-phenylbenzamide.
What is the SMILES notation for 3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-phenylbenzamide?
The canonical SMILES for 3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-phenylbenzamide is CCNC(=O)c1cc(-c2ccccc2)cc(S(=O)(=O)c2cnc(CN)s2)c1.
What is the InChIKey of 3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-phenylbenzamide?
The InChIKey is OAJODPVVZBYUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c1-2-21-19(23)15-8-14(13-6-4-3-5-7-13)9-16(10-15)27(24,25)18-12-22-17(11-20)26-18/h3-10,12H,2,11,20H2,1H3,(H,21,23).
What are the key properties of 3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-phenylbenzamide?
3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-phenylbenzamide has a molecular weight of 401.51 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-phenylbenzamide is sourced from PubChem (CID 130358355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).