N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide

C25H29N3O3S — CID 55702473

IUPACN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c(C)n1-c1cccc(C(C)C)c1
InChIInChI=1S/C25H29N3O3S/c1-17(2)20-7-5-8-23(16-20)28-18(3)15-24(19(28)4)25(29)26-21-9-11-22(12-10-21)27-13-6-14-32(27,30)31/h5,7-12,15-17H,6,13-14H2,1-4H3,(H,26,29)
InChIKeyGJWVMJGXVLUWOB-UHFFFAOYSA-N
MW451.59 g/mol
LogP5.01
Rot. Bonds5

About N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide (PubChem CID 55702473) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide
PubChem CID55702473
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c(C)n1-c1cccc(C(C)C)c1
InChIInChI=1S/C25H29N3O3S/c1-17(2)20-7-5-8-23(16-20)28-18(3)15-24(19(28)4)25(29)26-21-9-11-22(12-10-21)27-13-6-14-32(27,30)31/h5,7-12,15-17H,6,13-14H2,1-4H3,(H,26,29)
InChIKeyGJWVMJGXVLUWOB-UHFFFAOYSA-N
XLogP5.01
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.59
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)pyrrole-3-carboxamide
CID 2423054
2,5-dimethyl-1-(3-propan-2-ylphenyl)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyrrole-3-carboxamide
CID 47055269
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrole-3-carboxamide
CID 35189104
2,5-dichloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7482807
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
[2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119561718
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide
CID 7424221
N-[1-(3-benzamidophenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55693559
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46427415
N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 60553560
2-chloro-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-N-(3-propan-2-ylphenyl)benzamide
CID 146628313

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide?
The IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide (CID 55702473) is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c(C)n1-c1cccc(C(C)C)c1.
What is the InChIKey of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide?
The InChIKey is GJWVMJGXVLUWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S/c1-17(2)20-7-5-8-23(16-20)28-18(3)15-24(19(28)4)25(29)26-21-9-11-22(12-10-21)27-13-6-14-32(27,30)31/h5,7-12,15-17H,6,13-14H2,1-4H3,(H,26,29).
What are the key properties of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide?
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide has a molecular weight of 451.59 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 55702473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).