N-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide

C23H25N3O4S2 — CID 87487305

IUPACN-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N(Cc1ccccc1)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C23H25N3O4S2/c27-21-9-5-4-8-20(21)26(16-17-6-2-1-3-7-17)22(28)18-10-12-19(13-11-18)32(29,30)25-23-24-14-15-31-23/h1-3,6-7,10-15,20-21,27H,4-5,8-9,16H2,(H,24,25)/t20-,21-/m1/s1
InChIKeyTYVCIAKLDFXFNV-NHCUHLMSSA-N
MW471.60 g/mol
LogP3.89
Rot. Bonds7

About N-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide

N-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide (PubChem CID 87487305) has the molecular formula C23H25N3O4S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
PubChem CID87487305
Molecular FormulaC23H25N3O4S2
Molecular Weight471.60 g/mol
Exact Mass471.13
IUPAC NameN-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N(Cc1ccccc1)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C23H25N3O4S2/c27-21-9-5-4-8-20(21)26(16-17-6-2-1-3-7-17)22(28)18-10-12-19(13-11-18)32(29,30)25-23-24-14-15-31-23/h1-3,6-7,10-15,20-21,27H,4-5,8-9,16H2,(H,24,25)/t20-,21-/m1/s1
InChIKeyTYVCIAKLDFXFNV-NHCUHLMSSA-N
XLogP3.89
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The IUPAC name of N-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide (CID 87487305) is N-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide is O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N(Cc1ccccc1)[C@@H]1CCCC[C@H]1O.
What is the InChIKey of N-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The InChIKey is TYVCIAKLDFXFNV-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H25N3O4S2/c27-21-9-5-4-8-20(21)26(16-17-6-2-1-3-7-17)22(28)18-10-12-19(13-11-18)32(29,30)25-23-24-14-15-31-23/h1-3,6-7,10-15,20-21,27H,4-5,8-9,16H2,(H,24,25)/t20-,21-/m1/s1.
What are the key properties of N-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
N-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide has a molecular weight of 471.60 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 87487305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).