N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide

C25H23N5OS — CID 55854839

IUPACN-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)NCC(c3cccs3)c3c[nH]c4ccccc34)c2C)c1
InChIInChI=1S/C25H23N5OS/c1-16-7-5-8-18(13-16)30-17(2)24(28-29-30)25(31)27-15-21(23-11-6-12-32-23)20-14-26-22-10-4-3-9-19(20)22/h3-14,21,26H,15H2,1-2H3,(H,27,31)
InChIKeyHZDSYMJPEOQOPP-UHFFFAOYSA-N
MW441.56 g/mol
LogP4.99
Rot. Bonds6

About N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide

N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide (PubChem CID 55854839) has the molecular formula C25H23N5OS and a molecular weight of 441.56 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
PubChem CID55854839
Molecular FormulaC25H23N5OS
Molecular Weight441.56 g/mol
Exact Mass441.16
IUPAC NameN-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)NCC(c3cccs3)c3c[nH]c4ccccc34)c2C)c1
InChIInChI=1S/C25H23N5OS/c1-16-7-5-8-18(13-16)30-17(2)24(28-29-30)25(31)27-15-21(23-11-6-12-32-23)20-14-26-22-10-4-3-9-19(20)22/h3-14,21,26H,15H2,1-2H3,(H,27,31)
InChIKeyHZDSYMJPEOQOPP-UHFFFAOYSA-N
XLogP4.99
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 55383976
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 55329126
5-methyl-1-(3-methylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 55854731
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(3-methylphenoxy)propanamide
CID 55329101
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-methylpyrimidine-4-carboxamide
CID 97191740
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 42904645
3-(dimethylamino)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 4858646
ethyl 6-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55678396
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 55329076
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55691271
2-chloro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide
CID 55442013

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide (CID 55854839) is N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide is Cc1cccc(-n2nnc(C(=O)NCC(c3cccs3)c3c[nH]c4ccccc34)c2C)c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide?
The InChIKey is HZDSYMJPEOQOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5OS/c1-16-7-5-8-18(13-16)30-17(2)24(28-29-30)25(31)27-15-21(23-11-6-12-32-23)20-14-26-22-10-4-3-9-19(20)22/h3-14,21,26H,15H2,1-2H3,(H,27,31).
What are the key properties of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide?
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide has a molecular weight of 441.56 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 55854839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).