(4R)-3-benzoyl-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide

C23H26N4O3S — CID 55984093

IUPAC(4R)-3-benzoyl-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide
SMILESNC(=O)C1CCCN1Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)c1
InChIInChI=1S/C23H26N4O3S/c24-21(28)19-10-5-11-26(19)13-16-6-4-9-18(12-16)25-22(29)20-14-31-15-27(20)23(30)17-7-2-1-3-8-17/h1-4,6-9,12,19-20H,5,10-11,13-15H2,(H2,24,28)(H,25,29)/t19?,20-/m0/s1
InChIKeyINKHSTHMCZNQPX-ANYOKISRSA-N
MW438.55 g/mol
LogP2.29
Rot. Bonds6

About (4R)-3-benzoyl-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide

(4R)-3-benzoyl-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 55984093) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is (4R)-3-benzoyl-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-benzoyl-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID55984093
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name(4R)-3-benzoyl-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide
SMILESNC(=O)C1CCCN1Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)c1
InChIInChI=1S/C23H26N4O3S/c24-21(28)19-10-5-11-26(19)13-16-6-4-9-18(12-16)25-22(29)20-14-31-15-27(20)23(30)17-7-2-1-3-8-17/h1-4,6-9,12,19-20H,5,10-11,13-15H2,(H2,24,28)(H,25,29)/t19?,20-/m0/s1
InChIKeyINKHSTHMCZNQPX-ANYOKISRSA-N
XLogP2.29
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzoyl-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 55893789
3-benzoyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 60555694
3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid
CID 97337283
3-benzoyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 55698056
1-[[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 47068938
1-[[3-(pyrrolidine-2-carbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119856251
(2S)-1-[[3-[(3,5-dimethylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52507478
1-[[3-[(1-phenylcyclobutanecarbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560169
(4R)-3-benzoyl-N-(3-nitrophenyl)-1,3-thiazolidine-4-carboxamide
CID 71889011
1-[[3-[[3-(thiophene-2-carbonylamino)benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55984987
1-[[3-(hexanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide
CID 47068937
3-[3-[(1-benzylpiperidine-2-carbonyl)amino]phenyl]propanoic acid
CID 120613936

Frequently Asked Questions

What is the IUPAC name of (4R)-3-benzoyl-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-benzoyl-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide (CID 55984093) is (4R)-3-benzoyl-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-benzoyl-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-benzoyl-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide is NC(=O)C1CCCN1Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)c1.
What is the InChIKey of (4R)-3-benzoyl-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is INKHSTHMCZNQPX-ANYOKISRSA-N. The full InChI is InChI=1S/C23H26N4O3S/c24-21(28)19-10-5-11-26(19)13-16-6-4-9-18(12-16)25-22(29)20-14-31-15-27(20)23(30)17-7-2-1-3-8-17/h1-4,6-9,12,19-20H,5,10-11,13-15H2,(H2,24,28)(H,25,29)/t19?,20-/m0/s1.
What are the key properties of (4R)-3-benzoyl-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide?
(4R)-3-benzoyl-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-benzoyl-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 55984093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).