4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-1-ylpropyl)benzamide

C18H25N3O4S — CID 110301572

IUPAC4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-1-ylpropyl)benzamide
SMILESCC1CS(=O)(=O)N(c2ccc(C(=O)NCC(C)N3CCCC3)cc2)C1=O
InChIInChI=1S/C18H25N3O4S/c1-13-12-26(24,25)21(18(13)23)16-7-5-15(6-8-16)17(22)19-11-14(2)20-9-3-4-10-20/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,19,22)
InChIKeyTWZLSCBMOOPMMQ-UHFFFAOYSA-N
MW379.48 g/mol
LogP1.21
Rot. Bonds5

About 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-1-ylpropyl)benzamide

4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 110301572) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-1-ylpropyl)benzamide
PubChem CID110301572
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-1-ylpropyl)benzamide
SMILESCC1CS(=O)(=O)N(c2ccc(C(=O)NCC(C)N3CCCC3)cc2)C1=O
InChIInChI=1S/C18H25N3O4S/c1-13-12-26(24,25)21(18(13)23)16-7-5-15(6-8-16)17(22)19-11-14(2)20-9-3-4-10-20/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,19,22)
InChIKeyTWZLSCBMOOPMMQ-UHFFFAOYSA-N
XLogP1.21
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21006908
4-methyl-1,1-dioxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-thiazolidin-3-one
CID 20996614
N-[(4-chlorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996629
N-[(4-chlorophenyl)methyl]-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824193
4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]butanoic acid
CID 52904428
4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47187389
N-(2-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide
CID 110301675
4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 21007012
4-cyano-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47026894
N-[2-(4-fluorophenyl)ethyl]-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42349725
4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-propan-2-ylphenyl)benzamide
CID 26824324
N-(4-methylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824282

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-1-ylpropyl)benzamide (CID 110301572) is 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-1-ylpropyl)benzamide is CC1CS(=O)(=O)N(c2ccc(C(=O)NCC(C)N3CCCC3)cc2)C1=O.
What is the InChIKey of 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is TWZLSCBMOOPMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-13-12-26(24,25)21(18(13)23)16-7-5-15(6-8-16)17(22)19-11-14(2)20-9-3-4-10-20/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,19,22).
What are the key properties of 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-1-ylpropyl)benzamide?
4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 379.48 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 110301572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).