N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C23H29N3O4S — CID 21007103

IUPACN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCc1ccc(C(CNC(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)N(C)C)cc1
InChIInChI=1S/C23H29N3O4S/c1-16-6-8-17(9-7-16)20(25(4)5)14-24-21(27)18-10-12-19(13-11-18)26-22(28)23(2,3)15-31(26,29)30/h6-13,20H,14-15H2,1-5H3,(H,24,27)
InChIKeyWKFIPACLVQASLV-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.73
Rot. Bonds6

About N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 21007103) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID21007103
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCc1ccc(C(CNC(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)N(C)C)cc1
InChIInChI=1S/C23H29N3O4S/c1-16-6-8-17(9-7-16)20(25(4)5)14-24-21(27)18-10-12-19(13-11-18)26-22(28)23(2,3)15-31(26,29)30/h6-13,20H,14-15H2,1-5H3,(H,24,27)
InChIKeyWKFIPACLVQASLV-UHFFFAOYSA-N
XLogP2.73
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005061
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-methylbenzamide
CID 7496074
N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-phenylbenzamide
CID 8701383
N-(3,4-dimethylphenyl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996826
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51647787
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 51186635
N-[2-(dimethylamino)-2-phenylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 4881454
N-[(2S)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 42343146
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 47082065
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 97342015
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide
CID 7496029

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 21007103) is N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is Cc1ccc(C(CNC(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is WKFIPACLVQASLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-16-6-8-17(9-7-16)20(25(4)5)14-24-21(27)18-10-12-19(13-11-18)26-22(28)23(2,3)15-31(26,29)30/h6-13,20H,14-15H2,1-5H3,(H,24,27).
What are the key properties of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 443.57 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 21007103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).