2-anilino-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide

C18H18N4O3S2 — CID 30860085

IUPAC2-anilino-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2csc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C18H18N4O3S2/c19-27(24,25)15-8-6-13(7-9-15)10-11-20-17(23)16-12-26-18(22-16)21-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,20,23)(H,21,22)(H2,19,24,25)
InChIKeyVXMVVVIXDFAFOS-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.51
Rot. Bonds7

About 2-anilino-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide

2-anilino-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 30860085) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-anilino-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID30860085
Molecular FormulaC18H18N4O3S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC Name2-anilino-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2csc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C18H18N4O3S2/c19-27(24,25)15-8-6-13(7-9-15)10-11-20-17(23)16-12-26-18(22-16)21-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,20,23)(H,21,22)(H2,19,24,25)
InChIKeyVXMVVVIXDFAFOS-UHFFFAOYSA-N
XLogP2.51
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-anilino-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide (CID 30860085) is 2-anilino-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-anilino-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-anilino-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2csc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 2-anilino-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is VXMVVVIXDFAFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2/c19-27(24,25)15-8-6-13(7-9-15)10-11-20-17(23)16-12-26-18(22-16)21-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,20,23)(H,21,22)(H2,19,24,25).
What are the key properties of 2-anilino-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide?
2-anilino-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 30860085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).