4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide

C17H25N3O3S — CID 119537013

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCc1cc(N2CCCS2(=O)=O)ccc1C(=O)NCCC1CCNC1
InChIInChI=1S/C17H25N3O3S/c1-13-11-15(20-9-2-10-24(20,22)23)3-4-16(13)17(21)19-8-6-14-5-7-18-12-14/h3-4,11,14,18H,2,5-10,12H2,1H3,(H,19,21)
InChIKeyCBRDLZWBEHJTCJ-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.26
Rot. Bonds5

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide (PubChem CID 119537013) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
PubChem CID119537013
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCc1cc(N2CCCS2(=O)=O)ccc1C(=O)NCCC1CCNC1
InChIInChI=1S/C17H25N3O3S/c1-13-11-15(20-9-2-10-24(20,22)23)3-4-16(13)17(21)19-8-6-14-5-7-18-12-14/h3-4,11,14,18H,2,5-10,12H2,1H3,(H,19,21)
InChIKeyCBRDLZWBEHJTCJ-UHFFFAOYSA-N
XLogP1.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537198
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119448189
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-piperidin-3-ylethyl)benzamide
CID 119558574
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2-methylbenzamide
CID 154743912
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825539
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601464
2-methyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-3-carboxamide
CID 119537626
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
5-methyl-2-pyrrolidin-1-yl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536950
(2S)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoyl]amino]propanoic acid
CID 119942706
2-fluoro-4-(4-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119533790
3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63622867

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide (CID 119537013) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide is Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NCCC1CCNC1.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is CBRDLZWBEHJTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-13-11-15(20-9-2-10-24(20,22)23)3-4-16(13)17(21)19-8-6-14-5-7-18-12-14/h3-4,11,14,18H,2,5-10,12H2,1H3,(H,19,21).
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 351.47 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 119537013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).