N-[4-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide

C21H23N3O3S2 — CID 1001507

IUPACN-[4-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1
InChIInChI=1S/C21H23N3O3S2/c1-14(25)22-17-9-11-18(12-10-17)29(26,27)24-20-23-19(13-28-20)15-5-7-16(8-6-15)21(2,3)4/h5-13H,1-4H3,(H,22,25)(H,23,24)
InChIKeyHNEKPSVKTUSSRZ-UHFFFAOYSA-N
MW429.57 g/mol
LogP4.87
Rot. Bonds5

About N-[4-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide

N-[4-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide (PubChem CID 1001507) has the molecular formula C21H23N3O3S2 and a molecular weight of 429.57 g/mol. Its IUPAC name is N-[4-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide
PubChem CID1001507
Molecular FormulaC21H23N3O3S2
Molecular Weight429.57 g/mol
Exact Mass429.12
IUPAC NameN-[4-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1
InChIInChI=1S/C21H23N3O3S2/c1-14(25)22-17-9-11-18(12-10-17)29(26,27)24-20-23-19(13-28-20)15-5-7-16(8-6-15)21(2,3)4/h5-13H,1-4H3,(H,22,25)(H,23,24)
InChIKeyHNEKPSVKTUSSRZ-UHFFFAOYSA-N
XLogP4.87
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide (CID 1001507) is N-[4-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1.
What is the InChIKey of N-[4-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is HNEKPSVKTUSSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S2/c1-14(25)22-17-9-11-18(12-10-17)29(26,27)24-20-23-19(13-28-20)15-5-7-16(8-6-15)21(2,3)4/h5-13H,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 429.57 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 1001507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).