1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide

C24H29N3O2S — CID 3239343

IUPAC1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)C1CCCN(C(=O)c2cc3sccc3n2C)C1
InChIInChI=1S/C24H29N3O2S/c1-17(10-11-18-7-4-3-5-8-18)25-23(28)19-9-6-13-27(16-19)24(29)21-15-22-20(26(21)2)12-14-30-22/h3-5,7-8,12,14-15,17,19H,6,9-11,13,16H2,1-2H3,(H,25,28)
InChIKeyRGDVXUUUSIMRPJ-UHFFFAOYSA-N
MW423.58 g/mol
LogP4.23
Rot. Bonds6

About 1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide

1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide (PubChem CID 3239343) has the molecular formula C24H29N3O2S and a molecular weight of 423.58 g/mol. Its IUPAC name is 1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide
PubChem CID3239343
Molecular FormulaC24H29N3O2S
Molecular Weight423.58 g/mol
Exact Mass423.20
IUPAC Name1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)C1CCCN(C(=O)c2cc3sccc3n2C)C1
InChIInChI=1S/C24H29N3O2S/c1-17(10-11-18-7-4-3-5-8-18)25-23(28)19-9-6-13-27(16-19)24(29)21-15-22-20(26(21)2)12-14-30-22/h3-5,7-8,12,14-15,17,19H,6,9-11,13,16H2,1-2H3,(H,25,28)
InChIKeyRGDVXUUUSIMRPJ-UHFFFAOYSA-N
XLogP4.23
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide (CID 3239343) is 1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide is CC(CCc1ccccc1)NC(=O)C1CCCN(C(=O)c2cc3sccc3n2C)C1.
What is the InChIKey of 1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide?
The InChIKey is RGDVXUUUSIMRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2S/c1-17(10-11-18-7-4-3-5-8-18)25-23(28)19-9-6-13-27(16-19)24(29)21-15-22-20(26(21)2)12-14-30-22/h3-5,7-8,12,14-15,17,19H,6,9-11,13,16H2,1-2H3,(H,25,28).
What are the key properties of 1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide?
1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide has a molecular weight of 423.58 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 3239343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).