N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

C25H25N7O2S — CID 43043110

IUPACN-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESCN(C)c1ccc(C(CNC(=O)Cn2nnn(-c3cccs3)c2=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H25N7O2S/c1-30(2)18-11-9-17(10-12-18)20(21-15-26-22-7-4-3-6-19(21)22)14-27-23(33)16-31-25(34)32(29-28-31)24-8-5-13-35-24/h3-13,15,20,26H,14,16H2,1-2H3,(H,27,33)
InChIKeyBMPXBKDFTURNQG-UHFFFAOYSA-N
MW487.59 g/mol
LogP2.99
Rot. Bonds8

About N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (PubChem CID 43043110) has the molecular formula C25H25N7O2S and a molecular weight of 487.59 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
PubChem CID43043110
Molecular FormulaC25H25N7O2S
Molecular Weight487.59 g/mol
Exact Mass487.18
IUPAC NameN-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESCN(C)c1ccc(C(CNC(=O)Cn2nnn(-c3cccs3)c2=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H25N7O2S/c1-30(2)18-11-9-17(10-12-18)20(21-15-26-22-7-4-3-6-19(21)22)14-27-23(33)16-31-25(34)32(29-28-31)24-8-5-13-35-24/h3-13,15,20,26H,14,16H2,1-2H3,(H,27,33)
InChIKeyBMPXBKDFTURNQG-UHFFFAOYSA-N
XLogP2.99
TPSA100.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.59
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-methylthiophene-2-carboxamide
CID 43004910
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 43004905
2-(4-acetamidophenyl)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]acetamide
CID 41084156
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 46453161
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 26918563
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 9464980
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 55433688
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 25354544
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 7774673
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 31851387
N-[3-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]furan-3-carboxamide
CID 46430499
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 43004909

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (CID 43043110) is N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is CN(C)c1ccc(C(CNC(=O)Cn2nnn(-c3cccs3)c2=O)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The InChIKey is BMPXBKDFTURNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2S/c1-30(2)18-11-9-17(10-12-18)20(21-15-26-22-7-4-3-6-19(21)22)14-27-23(33)16-31-25(34)32(29-28-31)24-8-5-13-35-24/h3-13,15,20,26H,14,16H2,1-2H3,(H,27,33).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide has a molecular weight of 487.59 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is sourced from PubChem (CID 43043110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).