3-benzoyl-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide

C22H27N3O3S — CID 55511876

IUPAC3-benzoyl-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccccc1C(CNC(=O)C1CSCN1C(=O)c1ccccc1)N(C)C
InChIInChI=1S/C22H27N3O3S/c1-24(2)18(17-11-7-8-12-20(17)28-3)13-23-21(26)19-14-29-15-25(19)22(27)16-9-5-4-6-10-16/h4-12,18-19H,13-15H2,1-3H3,(H,23,26)
InChIKeyFOZSJTSWZRWGNP-UHFFFAOYSA-N
MW413.54 g/mol
LogP2.63
Rot. Bonds7

About 3-benzoyl-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide

3-benzoyl-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 55511876) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is 3-benzoyl-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-benzoyl-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID55511876
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC Name3-benzoyl-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccccc1C(CNC(=O)C1CSCN1C(=O)c1ccccc1)N(C)C
InChIInChI=1S/C22H27N3O3S/c1-24(2)18(17-11-7-8-12-20(17)28-3)13-23-21(26)19-14-29-15-25(19)22(27)16-9-5-4-6-10-16/h4-12,18-19H,13-15H2,1-3H3,(H,23,26)
InChIKeyFOZSJTSWZRWGNP-UHFFFAOYSA-N
XLogP2.63
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4543944
3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
CID 120831309
3-benzoyl-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55545581
methyl 4-[2-[(3-benzoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]benzoate
CID 55515178
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31308885
methyl N-[4-[[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]methyl]phenyl]carbamate
CID 55939179
(4R)-3-benzoyl-N-[(1S)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
CID 3077631
3-benzoyl-N-(2-phenylsulfanylethyl)-1,3-thiazolidine-4-carboxamide
CID 51331976
3-[[3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 119237397
(4R)-3-benzoyl-N-phenylmethoxy-1,3-thiazolidine-4-carboxamide
CID 94608808
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
(4R)-N-(2-methylpropyl)-3-[4-[(S)-methylsulfinyl]benzoyl]-1,3-thiazolidine-4-carboxamide
CID 97082517

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-benzoyl-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide (CID 55511876) is 3-benzoyl-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-benzoyl-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-benzoyl-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide is COc1ccccc1C(CNC(=O)C1CSCN1C(=O)c1ccccc1)N(C)C.
What is the InChIKey of 3-benzoyl-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is FOZSJTSWZRWGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-24(2)18(17-11-7-8-12-20(17)28-3)13-23-21(26)19-14-29-15-25(19)22(27)16-9-5-4-6-10-16/h4-12,18-19H,13-15H2,1-3H3,(H,23,26).
What are the key properties of 3-benzoyl-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
3-benzoyl-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 413.54 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 55511876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).