3-N,3-N,4-N,4-N-tetramethyl-9-thiophen-2-yl-8H-acenaphthyleno[1,2-c]pyrrole-3,4-dicarboxamide

C24H21N3O2S — CID 177408727

IUPAC3-N,3-N,4-N,4-N-tetramethyl-9-thiophen-2-yl-8H-acenaphthyleno[1,2-c]pyrrole-3,4-dicarboxamide
SMILESCN(C)C(=O)c1ccc2c3c(ccc(C(=O)N(C)C)c13)-c1c-2c[nH]c1-c1cccs1
InChIInChI=1S/C24H21N3O2S/c1-26(2)23(28)15-9-7-13-17-12-25-22(18-6-5-11-30-18)21(17)14-8-10-16(20(15)19(13)14)24(29)27(3)4/h5-12,25H,1-4H3
InChIKeyPPNJJYCJTUQWRA-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.95
Rot. Bonds3

About 3-N,3-N,4-N,4-N-tetramethyl-9-thiophen-2-yl-8H-acenaphthyleno[1,2-c]pyrrole-3,4-dicarboxamide

3-N,3-N,4-N,4-N-tetramethyl-9-thiophen-2-yl-8H-acenaphthyleno[1,2-c]pyrrole-3,4-dicarboxamide (PubChem CID 177408727) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 3-N,3-N,4-N,4-N-tetramethyl-9-thiophen-2-yl-8H-acenaphthyleno[1,2-c]pyrrole-3,4-dicarboxamide.

Molecular Properties

Compound Name3-N,3-N,4-N,4-N-tetramethyl-9-thiophen-2-yl-8H-acenaphthyleno[1,2-c]pyrrole-3,4-dicarboxamide
PubChem CID177408727
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name3-N,3-N,4-N,4-N-tetramethyl-9-thiophen-2-yl-8H-acenaphthyleno[1,2-c]pyrrole-3,4-dicarboxamide
SMILESCN(C)C(=O)c1ccc2c3c(ccc(C(=O)N(C)C)c13)-c1c-2c[nH]c1-c1cccs1
InChIInChI=1S/C24H21N3O2S/c1-26(2)23(28)15-9-7-13-17-12-25-22(18-6-5-11-30-18)21(17)14-8-10-16(20(15)19(13)14)24(29)27(3)4/h5-12,25H,1-4H3
InChIKeyPPNJJYCJTUQWRA-UHFFFAOYSA-N
XLogP4.95
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,4-N,4-N-tetramethyl-9-thiophen-2-yl-8H-acenaphthyleno[1,2-c]pyrrole-3,4-dicarboxamide?
The IUPAC name of 3-N,3-N,4-N,4-N-tetramethyl-9-thiophen-2-yl-8H-acenaphthyleno[1,2-c]pyrrole-3,4-dicarboxamide (CID 177408727) is 3-N,3-N,4-N,4-N-tetramethyl-9-thiophen-2-yl-8H-acenaphthyleno[1,2-c]pyrrole-3,4-dicarboxamide.
What is the SMILES notation for 3-N,3-N,4-N,4-N-tetramethyl-9-thiophen-2-yl-8H-acenaphthyleno[1,2-c]pyrrole-3,4-dicarboxamide?
The canonical SMILES for 3-N,3-N,4-N,4-N-tetramethyl-9-thiophen-2-yl-8H-acenaphthyleno[1,2-c]pyrrole-3,4-dicarboxamide is CN(C)C(=O)c1ccc2c3c(ccc(C(=O)N(C)C)c13)-c1c-2c[nH]c1-c1cccs1.
What is the InChIKey of 3-N,3-N,4-N,4-N-tetramethyl-9-thiophen-2-yl-8H-acenaphthyleno[1,2-c]pyrrole-3,4-dicarboxamide?
The InChIKey is PPNJJYCJTUQWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-26(2)23(28)15-9-7-13-17-12-25-22(18-6-5-11-30-18)21(17)14-8-10-16(20(15)19(13)14)24(29)27(3)4/h5-12,25H,1-4H3.
What are the key properties of 3-N,3-N,4-N,4-N-tetramethyl-9-thiophen-2-yl-8H-acenaphthyleno[1,2-c]pyrrole-3,4-dicarboxamide?
3-N,3-N,4-N,4-N-tetramethyl-9-thiophen-2-yl-8H-acenaphthyleno[1,2-c]pyrrole-3,4-dicarboxamide has a molecular weight of 415.52 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,4-N,4-N-tetramethyl-9-thiophen-2-yl-8H-acenaphthyleno[1,2-c]pyrrole-3,4-dicarboxamide is sourced from PubChem (CID 177408727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).