N-(4-phenylbutan-2-yl)-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

C20H26N2OS — CID 53171046

IUPACN-(4-phenylbutan-2-yl)-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1cc2c(s1)CN(C(C)C)C2
InChIInChI=1S/C20H26N2OS/c1-14(2)22-12-17-11-18(24-19(17)13-22)20(23)21-15(3)9-10-16-7-5-4-6-8-16/h4-8,11,14-15H,9-10,12-13H2,1-3H3,(H,21,23)
InChIKeyURFKLKPMEHJSKM-UHFFFAOYSA-N
MW342.51 g/mol
LogP4.22
Rot. Bonds6

About N-(4-phenylbutan-2-yl)-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

N-(4-phenylbutan-2-yl)-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 53171046) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
PubChem CID53171046
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC NameN-(4-phenylbutan-2-yl)-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1cc2c(s1)CN(C(C)C)C2
InChIInChI=1S/C20H26N2OS/c1-14(2)22-12-17-11-18(24-19(17)13-22)20(23)21-15(3)9-10-16-7-5-4-6-8-16/h4-8,11,14-15H,9-10,12-13H2,1-3H3,(H,21,23)
InChIKeyURFKLKPMEHJSKM-UHFFFAOYSA-N
XLogP4.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-phenylbutan-2-yl)-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide with MolForge

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Related Compounds

N-(4-phenylbutan-2-yl)-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide
CID 20963448
N-(furan-2-ylmethyl)-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
CID 53171039
N-(4-phenylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide
CID 107026936
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 7352101
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 7352102
4-chloro-N-(4-phenylbutan-2-yl)thieno[3,2-c]quinoline-2-carboxamide
CID 46256134
5-(3-chlorophenyl)-N-[(2S)-4-phenylbutan-2-yl]thiophene-2-carboxamide
CID 92762194
N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
CID 107026940
(2R)-2-amino-N-(4-phenylbutan-2-yl)propanamide
CID 14620809
3-bromo-N-(4-phenylbutan-2-yl)benzamide
CID 2900387
3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 808043
3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 880257

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of N-(4-phenylbutan-2-yl)-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (CID 53171046) is N-(4-phenylbutan-2-yl)-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is CC(CCc1ccccc1)NC(=O)c1cc2c(s1)CN(C(C)C)C2.
What is the InChIKey of N-(4-phenylbutan-2-yl)-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is URFKLKPMEHJSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-14(2)22-12-17-11-18(24-19(17)13-22)20(23)21-15(3)9-10-16-7-5-4-6-8-16/h4-8,11,14-15H,9-10,12-13H2,1-3H3,(H,21,23).
What are the key properties of N-(4-phenylbutan-2-yl)-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
N-(4-phenylbutan-2-yl)-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 342.51 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 53171046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).