N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide

C24H27N3O4S2 — CID 24643731

IUPACN-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCc1nc(-c2ccc(CCNC(=O)c3cccc(S(=O)(=O)NCC4CCCO4)c3)cc2)cs1
InChIInChI=1S/C24H27N3O4S2/c1-17-27-23(16-32-17)19-9-7-18(8-10-19)11-12-25-24(28)20-4-2-6-22(14-20)33(29,30)26-15-21-5-3-13-31-21/h2,4,6-10,14,16,21,26H,3,5,11-13,15H2,1H3,(H,25,28)
InChIKeyMXAKAUUULYZFAD-UHFFFAOYSA-N
MW485.63 g/mol
LogP3.55
Rot. Bonds9

About N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide

N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 24643731) has the molecular formula C24H27N3O4S2 and a molecular weight of 485.63 g/mol. Its IUPAC name is N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID24643731
Molecular FormulaC24H27N3O4S2
Molecular Weight485.63 g/mol
Exact Mass485.14
IUPAC NameN-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCc1nc(-c2ccc(CCNC(=O)c3cccc(S(=O)(=O)NCC4CCCO4)c3)cc2)cs1
InChIInChI=1S/C24H27N3O4S2/c1-17-27-23(16-32-17)19-9-7-18(8-10-19)11-12-25-24(28)20-4-2-6-22(14-20)33(29,30)26-15-21-5-3-13-31-21/h2,4,6-10,14,16,21,26H,3,5,11-13,15H2,1H3,(H,25,28)
InChIKeyMXAKAUUULYZFAD-UHFFFAOYSA-N
XLogP3.55
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24538290
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94026439
N-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 74632236
3-(oxolan-2-ylmethylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 43020050
N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
N-[(4-bromothiophen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55867907
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride
CID 52984164
3-(butylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 27518057
N-[(4-acetamidophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 18207149
N-(oxolan-2-ylmethyl)-3-(pentylsulfamoyl)benzamide
CID 109063938
4-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 40917313
N-[(6-methoxynaphthalen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24646084

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 24643731) is N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide is Cc1nc(-c2ccc(CCNC(=O)c3cccc(S(=O)(=O)NCC4CCCO4)c3)cc2)cs1.
What is the InChIKey of N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is MXAKAUUULYZFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S2/c1-17-27-23(16-32-17)19-9-7-18(8-10-19)11-12-25-24(28)20-4-2-6-22(14-20)33(29,30)26-15-21-5-3-13-31-21/h2,4,6-10,14,16,21,26H,3,5,11-13,15H2,1H3,(H,25,28).
What are the key properties of N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 485.63 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 24643731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).