2-methyl-5-methylsulfonyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

C26H24N2O3S2 — CID 55371823

IUPAC2-methyl-5-methylsulfonyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C26H24N2O3S2/c1-19-13-14-22(33(2,30)31)17-23(19)25(29)28(16-15-20-9-5-3-6-10-20)26-27-24(18-32-26)21-11-7-4-8-12-21/h3-14,17-18H,15-16H2,1-2H3
InChIKeyPEBTWTOTWIIVTN-UHFFFAOYSA-N
MW476.62 g/mol
LogP5.41
Rot. Bonds7

About 2-methyl-5-methylsulfonyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

2-methyl-5-methylsulfonyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 55371823) has the molecular formula C26H24N2O3S2 and a molecular weight of 476.62 g/mol. Its IUPAC name is 2-methyl-5-methylsulfonyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-methyl-5-methylsulfonyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID55371823
Molecular FormulaC26H24N2O3S2
Molecular Weight476.62 g/mol
Exact Mass476.12
IUPAC Name2-methyl-5-methylsulfonyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C26H24N2O3S2/c1-19-13-14-22(33(2,30)31)17-23(19)25(29)28(16-15-20-9-5-3-6-10-20)26-27-24(18-32-26)21-11-7-4-8-12-21/h3-14,17-18H,15-16H2,1-2H3
InChIKeyPEBTWTOTWIIVTN-UHFFFAOYSA-N
XLogP5.41
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 3173513
4-(2-acetamidoethyl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 43034291
N-benzyl-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1175892
N-(2-aminoethyl)-2-methyl-5-methylsulfonyl-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884373
diethyl-[3-[(2-methylbenzoyl)-(4-phenyl-1,3-thiazol-2-yl)amino]propyl]azanium
CID 7124820
1-benzyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 31031236
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenyl-N-(2-phenylethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 3189612
N-(furan-2-ylmethyl)-2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1139470
N-(2-phenylethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 112795876
1-N,3-N-bis(3-aminopropyl)-1-N,3-N-bis(4-phenyl-1,3-thiazol-2-yl)benzene-1,3-dicarboxamide
CID 66727925
(3-phenyl-1,2-oxazol-5-yl)methyl 2-methyl-5-methylsulfonylbenzoate
CID 37135590
2-(2,4-dimethylquinolin-3-yl)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide
CID 17425049

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfonyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-methyl-5-methylsulfonyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 55371823) is 2-methyl-5-methylsulfonyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-methyl-5-methylsulfonyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-methyl-5-methylsulfonyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-methyl-5-methylsulfonyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is PEBTWTOTWIIVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3S2/c1-19-13-14-22(33(2,30)31)17-23(19)25(29)28(16-15-20-9-5-3-6-10-20)26-27-24(18-32-26)21-11-7-4-8-12-21/h3-14,17-18H,15-16H2,1-2H3.
What are the key properties of 2-methyl-5-methylsulfonyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
2-methyl-5-methylsulfonyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 476.62 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfonyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 55371823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).