(3R)-N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide

C24H25N3O2S — CID 125124207

IUPAC(3R)-N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)C[C@H](c1ccsc1)n1cccc1
InChIInChI=1S/C24H25N3O2S/c1-29-17-7-8-20-19(13-17)18-5-4-6-21(24(18)26-20)25-23(28)14-22(16-9-12-30-15-16)27-10-2-3-11-27/h2-3,7-13,15,21-22,26H,4-6,14H2,1H3,(H,25,28)/t21-,22-/m1/s1
InChIKeyXWRQUSZHVMDIKX-FGZHOGPDSA-N
MW419.55 g/mol
LogP5.21
Rot. Bonds6

About (3R)-N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide

(3R)-N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide (PubChem CID 125124207) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is (3R)-N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound Name(3R)-N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
PubChem CID125124207
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name(3R)-N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)C[C@H](c1ccsc1)n1cccc1
InChIInChI=1S/C24H25N3O2S/c1-29-17-7-8-20-19(13-17)18-5-4-6-21(24(18)26-20)25-23(28)14-22(16-9-12-30-15-16)27-10-2-3-11-27/h2-3,7-13,15,21-22,26H,4-6,14H2,1H3,(H,25,28)/t21-,22-/m1/s1
InChIKeyXWRQUSZHVMDIKX-FGZHOGPDSA-N
XLogP5.21
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.55
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The IUPAC name of (3R)-N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide (CID 125124207) is (3R)-N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for (3R)-N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The canonical SMILES for (3R)-N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide is COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)C[C@H](c1ccsc1)n1cccc1.
What is the InChIKey of (3R)-N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The InChIKey is XWRQUSZHVMDIKX-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-29-17-7-8-20-19(13-17)18-5-4-6-21(24(18)26-20)25-23(28)14-22(16-9-12-30-15-16)27-10-2-3-11-27/h2-3,7-13,15,21-22,26H,4-6,14H2,1H3,(H,25,28)/t21-,22-/m1/s1.
What are the key properties of (3R)-N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
(3R)-N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide has a molecular weight of 419.55 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 125124207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).