4-(4-chlorophenyl)-N,N-dipropyl-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide

C22H24ClN3O3S2 — CID 75202855

IUPAC4-(4-chlorophenyl)-N,N-dipropyl-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide
SMILESCCCN(CCC)C(=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(S(N)(=O)=O)cc2)s1
InChIInChI=1S/C22H24ClN3O3S2/c1-3-13-26(14-4-2)22(27)21-25-19(15-5-9-17(23)10-6-15)20(30-21)16-7-11-18(12-8-16)31(24,28)29/h5-12H,3-4,13-14H2,1-2H3,(H2,24,28,29)
InChIKeyKVLMXTOOOWJOEQ-UHFFFAOYSA-N
MW478.04 g/mol
LogP5.04
Rot. Bonds8

About 4-(4-chlorophenyl)-N,N-dipropyl-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide

4-(4-chlorophenyl)-N,N-dipropyl-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide (PubChem CID 75202855) has the molecular formula C22H24ClN3O3S2 and a molecular weight of 478.04 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N,N-dipropyl-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N,N-dipropyl-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide
PubChem CID75202855
Molecular FormulaC22H24ClN3O3S2
Molecular Weight478.04 g/mol
Exact Mass477.09
IUPAC Name4-(4-chlorophenyl)-N,N-dipropyl-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide
SMILESCCCN(CCC)C(=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(S(N)(=O)=O)cc2)s1
InChIInChI=1S/C22H24ClN3O3S2/c1-3-13-26(14-4-2)22(27)21-25-19(15-5-9-17(23)10-6-15)20(30-21)16-7-11-18(12-8-16)31(24,28)29/h5-12H,3-4,13-14H2,1-2H3,(H2,24,28,29)
InChIKeyKVLMXTOOOWJOEQ-UHFFFAOYSA-N
XLogP5.04
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.04
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N,N-dipropyl-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N,N-dipropyl-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide (CID 75202855) is 4-(4-chlorophenyl)-N,N-dipropyl-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N,N-dipropyl-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N,N-dipropyl-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide is CCCN(CCC)C(=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(S(N)(=O)=O)cc2)s1.
What is the InChIKey of 4-(4-chlorophenyl)-N,N-dipropyl-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide?
The InChIKey is KVLMXTOOOWJOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3S2/c1-3-13-26(14-4-2)22(27)21-25-19(15-5-9-17(23)10-6-15)20(30-21)16-7-11-18(12-8-16)31(24,28)29/h5-12H,3-4,13-14H2,1-2H3,(H2,24,28,29).
What are the key properties of 4-(4-chlorophenyl)-N,N-dipropyl-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide?
4-(4-chlorophenyl)-N,N-dipropyl-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide has a molecular weight of 478.04 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N,N-dipropyl-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 75202855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).