2-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-(propan-2-ylsulfamoyl)benzamide

C22H24ClN3O3S2 — CID 46532724

IUPAC2-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-(propan-2-ylsulfamoyl)benzamide
SMILESCc1nc(-c2ccc(CCNC(=O)c3cc(S(=O)(=O)NC(C)C)ccc3Cl)cc2)cs1
InChIInChI=1S/C22H24ClN3O3S2/c1-14(2)26-31(28,29)18-8-9-20(23)19(12-18)22(27)24-11-10-16-4-6-17(7-5-16)21-13-30-15(3)25-21/h4-9,12-14,26H,10-11H2,1-3H3,(H,24,27)
InChIKeyPNXXPDSDGPYWCW-UHFFFAOYSA-N
MW478.04 g/mol
LogP4.43
Rot. Bonds8

About 2-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-(propan-2-ylsulfamoyl)benzamide

2-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-(propan-2-ylsulfamoyl)benzamide (PubChem CID 46532724) has the molecular formula C22H24ClN3O3S2 and a molecular weight of 478.04 g/mol. Its IUPAC name is 2-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-(propan-2-ylsulfamoyl)benzamide
PubChem CID46532724
Molecular FormulaC22H24ClN3O3S2
Molecular Weight478.04 g/mol
Exact Mass477.09
IUPAC Name2-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-(propan-2-ylsulfamoyl)benzamide
SMILESCc1nc(-c2ccc(CCNC(=O)c3cc(S(=O)(=O)NC(C)C)ccc3Cl)cc2)cs1
InChIInChI=1S/C22H24ClN3O3S2/c1-14(2)26-31(28,29)18-8-9-20(23)19(12-18)22(27)24-11-10-16-4-6-17(7-5-16)21-13-30-15(3)25-21/h4-9,12-14,26H,10-11H2,1-3H3,(H,24,27)
InChIKeyPNXXPDSDGPYWCW-UHFFFAOYSA-N
XLogP4.43
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.04
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 108725447
4-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 16568145
2-chloro-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-5-(propan-2-ylsulfamoyl)benzamide
CID 56569965
2,4-dichloro-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]benzamide
CID 30125531
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 25401259
2-chloro-N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 56578163
4-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzenesulfonamide
CID 108780120
4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568166
3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
CID 51248570
2,3-dichloro-N-[1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxopropan-2-yl]benzamide
CID 55788954
2-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55505479
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride
CID 52984164

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-(propan-2-ylsulfamoyl)benzamide (CID 46532724) is 2-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-(propan-2-ylsulfamoyl)benzamide is Cc1nc(-c2ccc(CCNC(=O)c3cc(S(=O)(=O)NC(C)C)ccc3Cl)cc2)cs1.
What is the InChIKey of 2-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is PNXXPDSDGPYWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3S2/c1-14(2)26-31(28,29)18-8-9-20(23)19(12-18)22(27)24-11-10-16-4-6-17(7-5-16)21-13-30-15(3)25-21/h4-9,12-14,26H,10-11H2,1-3H3,(H,24,27).
What are the key properties of 2-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-(propan-2-ylsulfamoyl)benzamide?
2-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 478.04 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 46532724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).