N-[1-(2-amino-5-thiophen-2-ylphenyl)cyclopropyl]-1-(2-morpholin-4-ylethyl)indole-5-carboxamide

C28H30N4O2S — CID 118649722

IUPACN-[1-(2-amino-5-thiophen-2-ylphenyl)cyclopropyl]-1-(2-morpholin-4-ylethyl)indole-5-carboxamide
SMILESNc1ccc(-c2cccs2)cc1C1(NC(=O)c2ccc3c(ccn3CCN3CCOCC3)c2)CC1
InChIInChI=1S/C28H30N4O2S/c29-24-5-3-21(26-2-1-17-35-26)19-23(24)28(8-9-28)30-27(33)22-4-6-25-20(18-22)7-10-32(25)12-11-31-13-15-34-16-14-31/h1-7,10,17-19H,8-9,11-16,29H2,(H,30,33)
InChIKeyIHFXPMVGCQNUHH-UHFFFAOYSA-N
MW486.64 g/mol
LogP4.70
Rot. Bonds7

About N-[1-(2-amino-5-thiophen-2-ylphenyl)cyclopropyl]-1-(2-morpholin-4-ylethyl)indole-5-carboxamide

N-[1-(2-amino-5-thiophen-2-ylphenyl)cyclopropyl]-1-(2-morpholin-4-ylethyl)indole-5-carboxamide (PubChem CID 118649722) has the molecular formula C28H30N4O2S and a molecular weight of 486.64 g/mol. Its IUPAC name is N-[1-(2-amino-5-thiophen-2-ylphenyl)cyclopropyl]-1-(2-morpholin-4-ylethyl)indole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-5-thiophen-2-ylphenyl)cyclopropyl]-1-(2-morpholin-4-ylethyl)indole-5-carboxamide
PubChem CID118649722
Molecular FormulaC28H30N4O2S
Molecular Weight486.64 g/mol
Exact Mass486.21
IUPAC NameN-[1-(2-amino-5-thiophen-2-ylphenyl)cyclopropyl]-1-(2-morpholin-4-ylethyl)indole-5-carboxamide
SMILESNc1ccc(-c2cccs2)cc1C1(NC(=O)c2ccc3c(ccn3CCN3CCOCC3)c2)CC1
InChIInChI=1S/C28H30N4O2S/c29-24-5-3-21(26-2-1-17-35-26)19-23(24)28(8-9-28)30-27(33)22-4-6-25-20(18-22)7-10-32(25)12-11-31-13-15-34-16-14-31/h1-7,10,17-19H,8-9,11-16,29H2,(H,30,33)
InChIKeyIHFXPMVGCQNUHH-UHFFFAOYSA-N
XLogP4.70
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.64
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-5-thiophen-2-ylphenyl)cyclopropyl]-1-(2-morpholin-4-ylethyl)indole-5-carboxamide?
The IUPAC name of N-[1-(2-amino-5-thiophen-2-ylphenyl)cyclopropyl]-1-(2-morpholin-4-ylethyl)indole-5-carboxamide (CID 118649722) is N-[1-(2-amino-5-thiophen-2-ylphenyl)cyclopropyl]-1-(2-morpholin-4-ylethyl)indole-5-carboxamide.
What is the SMILES notation for N-[1-(2-amino-5-thiophen-2-ylphenyl)cyclopropyl]-1-(2-morpholin-4-ylethyl)indole-5-carboxamide?
The canonical SMILES for N-[1-(2-amino-5-thiophen-2-ylphenyl)cyclopropyl]-1-(2-morpholin-4-ylethyl)indole-5-carboxamide is Nc1ccc(-c2cccs2)cc1C1(NC(=O)c2ccc3c(ccn3CCN3CCOCC3)c2)CC1.
What is the InChIKey of N-[1-(2-amino-5-thiophen-2-ylphenyl)cyclopropyl]-1-(2-morpholin-4-ylethyl)indole-5-carboxamide?
The InChIKey is IHFXPMVGCQNUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2S/c29-24-5-3-21(26-2-1-17-35-26)19-23(24)28(8-9-28)30-27(33)22-4-6-25-20(18-22)7-10-32(25)12-11-31-13-15-34-16-14-31/h1-7,10,17-19H,8-9,11-16,29H2,(H,30,33).
What are the key properties of N-[1-(2-amino-5-thiophen-2-ylphenyl)cyclopropyl]-1-(2-morpholin-4-ylethyl)indole-5-carboxamide?
N-[1-(2-amino-5-thiophen-2-ylphenyl)cyclopropyl]-1-(2-morpholin-4-ylethyl)indole-5-carboxamide has a molecular weight of 486.64 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-5-thiophen-2-ylphenyl)cyclopropyl]-1-(2-morpholin-4-ylethyl)indole-5-carboxamide is sourced from PubChem (CID 118649722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).