N-[5-[4-chloro-3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

C17H22ClN3O4S2 — CID 127031017

IUPACN-[5-[4-chloro-3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCc1nc(NC(=O)C(C)(C)C)sc1-c1ccc(Cl)c(S(=O)(=O)NCCO)c1
InChIInChI=1S/C17H22ClN3O4S2/c1-10-14(26-16(20-10)21-15(23)17(2,3)4)11-5-6-12(18)13(9-11)27(24,25)19-7-8-22/h5-6,9,19,22H,7-8H2,1-4H3,(H,20,21,23)
InChIKeyUTWQYDSXPBWHQY-UHFFFAOYSA-N
MW431.97 g/mol
LogP3.03
Rot. Bonds6

About N-[5-[4-chloro-3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

N-[5-[4-chloro-3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 127031017) has the molecular formula C17H22ClN3O4S2 and a molecular weight of 431.97 g/mol. Its IUPAC name is N-[5-[4-chloro-3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[4-chloro-3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
PubChem CID127031017
Molecular FormulaC17H22ClN3O4S2
Molecular Weight431.97 g/mol
Exact Mass431.07
IUPAC NameN-[5-[4-chloro-3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCc1nc(NC(=O)C(C)(C)C)sc1-c1ccc(Cl)c(S(=O)(=O)NCCO)c1
InChIInChI=1S/C17H22ClN3O4S2/c1-10-14(26-16(20-10)21-15(23)17(2,3)4)11-5-6-12(18)13(9-11)27(24,25)19-7-8-22/h5-6,9,19,22H,7-8H2,1-4H3,(H,20,21,23)
InChIKeyUTWQYDSXPBWHQY-UHFFFAOYSA-N
XLogP3.03
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.97
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-chloro-3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[4-chloro-3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (CID 127031017) is N-[5-[4-chloro-3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[4-chloro-3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[4-chloro-3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is Cc1nc(NC(=O)C(C)(C)C)sc1-c1ccc(Cl)c(S(=O)(=O)NCCO)c1.
What is the InChIKey of N-[5-[4-chloro-3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The InChIKey is UTWQYDSXPBWHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O4S2/c1-10-14(26-16(20-10)21-15(23)17(2,3)4)11-5-6-12(18)13(9-11)27(24,25)19-7-8-22/h5-6,9,19,22H,7-8H2,1-4H3,(H,20,21,23).
What are the key properties of N-[5-[4-chloro-3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
N-[5-[4-chloro-3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 431.97 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-chloro-3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 127031017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).