N-[5-[4-chloro-3-[(2-hydroxy-2-methylpropyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide

C16H20ClN3O4S2 — CID 170945192

IUPACN-[5-[4-chloro-3-[(2-hydroxy-2-methylpropyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCC(C)(C)O)c2)s1
InChIInChI=1S/C16H20ClN3O4S2/c1-9-14(25-15(19-9)20-10(2)21)11-5-6-12(17)13(7-11)26(23,24)18-8-16(3,4)22/h5-7,18,22H,8H2,1-4H3,(H,19,20,21)
InChIKeyRQQAJRMPGITPHA-UHFFFAOYSA-N
MW417.94 g/mol
LogP2.78
Rot. Bonds6

About N-[5-[4-chloro-3-[(2-hydroxy-2-methylpropyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[4-chloro-3-[(2-hydroxy-2-methylpropyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 170945192) has the molecular formula C16H20ClN3O4S2 and a molecular weight of 417.94 g/mol. Its IUPAC name is N-[5-[4-chloro-3-[(2-hydroxy-2-methylpropyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[4-chloro-3-[(2-hydroxy-2-methylpropyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID170945192
Molecular FormulaC16H20ClN3O4S2
Molecular Weight417.94 g/mol
Exact Mass417.06
IUPAC NameN-[5-[4-chloro-3-[(2-hydroxy-2-methylpropyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCC(C)(C)O)c2)s1
InChIInChI=1S/C16H20ClN3O4S2/c1-9-14(25-15(19-9)20-10(2)21)11-5-6-12(17)13(7-11)26(23,24)18-8-16(3,4)22/h5-7,18,22H,8H2,1-4H3,(H,19,20,21)
InChIKeyRQQAJRMPGITPHA-UHFFFAOYSA-N
XLogP2.78
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 52.78
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-hydroxy-2-methylpropyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[4-chloro-3-[(2-hydroxy-2-methylpropyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 170945192) is N-[5-[4-chloro-3-[(2-hydroxy-2-methylpropyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[4-chloro-3-[(2-hydroxy-2-methylpropyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[4-chloro-3-[(2-hydroxy-2-methylpropyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCC(C)(C)O)c2)s1.
What is the InChIKey of N-[5-[4-chloro-3-[(2-hydroxy-2-methylpropyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is RQQAJRMPGITPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O4S2/c1-9-14(25-15(19-9)20-10(2)21)11-5-6-12(17)13(7-11)26(23,24)18-8-16(3,4)22/h5-7,18,22H,8H2,1-4H3,(H,19,20,21).
What are the key properties of N-[5-[4-chloro-3-[(2-hydroxy-2-methylpropyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[4-chloro-3-[(2-hydroxy-2-methylpropyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 417.94 g/mol, XLogP of 2.78, 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-hydroxy-2-methylpropyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 170945192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).