3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide

C23H27N3O3S2 — CID 100796453

IUPAC3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCc1nc(-c2cccc(NC(=O)CCc3ccc(S(=O)(=O)NC(C)(C)C)cc3)c2)cs1
InChIInChI=1S/C23H27N3O3S2/c1-16-24-21(15-30-16)18-6-5-7-19(14-18)25-22(27)13-10-17-8-11-20(12-9-17)31(28,29)26-23(2,3)4/h5-9,11-12,14-15,26H,10,13H2,1-4H3,(H,25,27)
InChIKeyNMJZNUJNPIKBCJ-UHFFFAOYSA-N
MW457.62 g/mol
LogP4.77
Rot. Bonds7

About 3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide

3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide (PubChem CID 100796453) has the molecular formula C23H27N3O3S2 and a molecular weight of 457.62 g/mol. Its IUPAC name is 3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
PubChem CID100796453
Molecular FormulaC23H27N3O3S2
Molecular Weight457.62 g/mol
Exact Mass457.15
IUPAC Name3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCc1nc(-c2cccc(NC(=O)CCc3ccc(S(=O)(=O)NC(C)(C)C)cc3)c2)cs1
InChIInChI=1S/C23H27N3O3S2/c1-16-24-21(15-30-16)18-6-5-7-19(14-18)25-22(27)13-10-17-8-11-20(12-9-17)31(28,29)26-23(2,3)4/h5-9,11-12,14-15,26H,10,13H2,1-4H3,(H,25,27)
InChIKeyNMJZNUJNPIKBCJ-UHFFFAOYSA-N
XLogP4.77
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]propanoate
CID 8002269
3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide
CID 136818206
N-(3-acetylphenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide
CID 1296104
N-(3-bromophenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide
CID 126268267
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
5-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 107908820
3-[4-(tert-butylsulfamoyl)phenyl]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]propanamide
CID 100796451
2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 852161
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 24648914
3-(3-methylphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 122286611
3-(4-chlorophenyl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748675
3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 54924319

Frequently Asked Questions

What is the IUPAC name of 3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide?
The IUPAC name of 3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide (CID 100796453) is 3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide?
The canonical SMILES for 3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide is Cc1nc(-c2cccc(NC(=O)CCc3ccc(S(=O)(=O)NC(C)(C)C)cc3)c2)cs1.
What is the InChIKey of 3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide?
The InChIKey is NMJZNUJNPIKBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S2/c1-16-24-21(15-30-16)18-6-5-7-19(14-18)25-22(27)13-10-17-8-11-20(12-9-17)31(28,29)26-23(2,3)4/h5-9,11-12,14-15,26H,10,13H2,1-4H3,(H,25,27).
What are the key properties of 3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide?
3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide has a molecular weight of 457.62 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 100796453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).