N-[2-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide

C24H23N3O3S — CID 60519954

IUPACN-[2-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)CNC(=O)c2cccs2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H23N3O3S/c1-30-17-10-8-16(9-11-17)19(20-14-25-21-6-3-2-5-18(20)21)13-26-23(28)15-27-24(29)22-7-4-12-31-22/h2-12,14,19,25H,13,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyJEZYVFGBDCXOKS-UHFFFAOYSA-N
MW433.53 g/mol
LogP3.92
Rot. Bonds8

About N-[2-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 60519954) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[2-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID60519954
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC NameN-[2-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)CNC(=O)c2cccs2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H23N3O3S/c1-30-17-10-8-16(9-11-17)19(20-14-25-21-6-3-2-5-18(20)21)13-26-23(28)15-27-24(29)22-7-4-12-31-22/h2-12,14,19,25H,13,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyJEZYVFGBDCXOKS-UHFFFAOYSA-N
XLogP3.92
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[2-(1H-indol-3-yl)-2-phenylethyl]thiophene-2-carboxamide
CID 4880396
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1H-indazole-3-carboxamide
CID 43017319
N-[(2S)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide
CID 35124002
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-oxo-5-thiophen-2-ylpentanamide
CID 24666522
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide
CID 43007542
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17014566
2-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014560
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 17014418
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801
2-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014563

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide (CID 60519954) is N-[2-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide is COc1ccc(C(CNC(=O)CNC(=O)c2cccs2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is JEZYVFGBDCXOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-30-17-10-8-16(9-11-17)19(20-14-25-21-6-3-2-5-18(20)21)13-26-23(28)15-27-24(29)22-7-4-12-31-22/h2-12,14,19,25H,13,15H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 3.92, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 60519954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).