N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropylsulfonyl)propanamide

C23H24N2O4S2 — CID 112832616

IUPACN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropylsulfonyl)propanamide
SMILESCC(C)CS(=O)(=O)CCC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C23H24N2O4S2/c1-16(2)15-31(28,29)14-13-19(26)24-23-25-20(17-9-5-3-6-10-17)22(30-23)21(27)18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,24,25,26)
InChIKeySRVUVJHTKNNYTF-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.44
Rot. Bonds9

About N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropylsulfonyl)propanamide

N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropylsulfonyl)propanamide (PubChem CID 112832616) has the molecular formula C23H24N2O4S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropylsulfonyl)propanamide.

Molecular Properties

Compound NameN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropylsulfonyl)propanamide
PubChem CID112832616
Molecular FormulaC23H24N2O4S2
Molecular Weight456.59 g/mol
Exact Mass456.12
IUPAC NameN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropylsulfonyl)propanamide
SMILESCC(C)CS(=O)(=O)CCC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C23H24N2O4S2/c1-16(2)15-31(28,29)14-13-19(26)24-23-25-20(17-9-5-3-6-10-17)22(30-23)21(27)18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,24,25,26)
InChIKeySRVUVJHTKNNYTF-UHFFFAOYSA-N
XLogP4.44
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 44994230
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 41151832
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide
CID 16799550
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-ethylsulfonylbenzamide
CID 41044546
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methylbutanamide
CID 31288202
N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 26196521
[5-[2-(carboxyamino)-4-phenyl-1,3-thiazole-5-carbonyl]-4-phenyl-1,3-thiazol-2-yl]carbamic acid
CID 87663118
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 4274612
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide
CID 5048055
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(diethylamino)benzamide
CID 4682991
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678

Frequently Asked Questions

What is the IUPAC name of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropylsulfonyl)propanamide?
The IUPAC name of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropylsulfonyl)propanamide (CID 112832616) is N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropylsulfonyl)propanamide.
What is the SMILES notation for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropylsulfonyl)propanamide?
The canonical SMILES for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropylsulfonyl)propanamide is CC(C)CS(=O)(=O)CCC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1.
What is the InChIKey of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropylsulfonyl)propanamide?
The InChIKey is SRVUVJHTKNNYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S2/c1-16(2)15-31(28,29)14-13-19(26)24-23-25-20(17-9-5-3-6-10-17)22(30-23)21(27)18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,24,25,26).
What are the key properties of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropylsulfonyl)propanamide?
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropylsulfonyl)propanamide has a molecular weight of 456.59 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropylsulfonyl)propanamide is sourced from PubChem (CID 112832616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).