3-benzoyl-N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-thiazolidine-4-carboxamide

C22H19N3O3S2 — CID 55515650

IUPAC3-benzoyl-N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2CSCN2C(=O)c2ccccc2)c1)c1cccs1
InChIInChI=1S/C22H19N3O3S2/c26-20(18-13-29-14-25(18)22(28)15-6-2-1-3-7-15)23-16-8-4-9-17(12-16)24-21(27)19-10-5-11-30-19/h1-12,18H,13-14H2,(H,23,26)(H,24,27)
InChIKeyWRDVPANVKAQFOD-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.15
Rot. Bonds5

About 3-benzoyl-N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-thiazolidine-4-carboxamide

3-benzoyl-N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 55515650) has the molecular formula C22H19N3O3S2 and a molecular weight of 437.55 g/mol. Its IUPAC name is 3-benzoyl-N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-benzoyl-N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID55515650
Molecular FormulaC22H19N3O3S2
Molecular Weight437.55 g/mol
Exact Mass437.09
IUPAC Name3-benzoyl-N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2CSCN2C(=O)c2ccccc2)c1)c1cccs1
InChIInChI=1S/C22H19N3O3S2/c26-20(18-13-29-14-25(18)22(28)15-6-2-1-3-7-15)23-16-8-4-9-17(12-16)24-21(27)19-10-5-11-30-19/h1-12,18H,13-14H2,(H,23,26)(H,24,27)
InChIKeyWRDVPANVKAQFOD-UHFFFAOYSA-N
XLogP4.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-3-benzoyl-N-(3-nitrophenyl)-1,3-thiazolidine-4-carboxamide
CID 71889011
3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55509767
3-benzoyl-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 3548133
3-benzoyl-N-[3-(cyanomethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55800443
(4R)-3-acetyl-N-(3-anilinophenyl)-1,3-thiazolidine-4-carboxamide
CID 124562005
3-benzoyl-N-dibenzofuran-3-yl-1,3-thiazolidine-4-carboxamide
CID 55796095
(4S)-3-benzoyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 94096788
3-benzoyl-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 55893789
N-[3-(cyclobutanecarbonylamino)phenyl]thiophene-2-carboxamide
CID 31518537
3-(3-acetamidobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359495
ethyl 4-[[3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]benzoate
CID 166597024
(4R)-3-benzoyl-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 55984093

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-benzoyl-N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-thiazolidine-4-carboxamide (CID 55515650) is 3-benzoyl-N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-benzoyl-N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-benzoyl-N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-thiazolidine-4-carboxamide is O=C(Nc1cccc(NC(=O)C2CSCN2C(=O)c2ccccc2)c1)c1cccs1.
What is the InChIKey of 3-benzoyl-N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is WRDVPANVKAQFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S2/c26-20(18-13-29-14-25(18)22(28)15-6-2-1-3-7-15)23-16-8-4-9-17(12-16)24-21(27)19-10-5-11-30-19/h1-12,18H,13-14H2,(H,23,26)(H,24,27).
What are the key properties of 3-benzoyl-N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-thiazolidine-4-carboxamide?
3-benzoyl-N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 437.55 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 55515650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).