N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-6-methoxy-1H-indole-2-carboxamide

C24H21N3O2S — CID 55556675

IUPACN-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCC(c3cccs3)c3c[nH]c4ccccc34)[nH]c2c1
InChIInChI=1S/C24H21N3O2S/c1-29-16-9-8-15-11-22(27-21(15)12-16)24(28)26-14-19(23-7-4-10-30-23)18-13-25-20-6-3-2-5-17(18)20/h2-13,19,25,27H,14H2,1H3,(H,26,28)
InChIKeyOGGQKJIKJFUAQX-UHFFFAOYSA-N
MW415.52 g/mol
LogP5.28
Rot. Bonds6

About N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-6-methoxy-1H-indole-2-carboxamide

N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-6-methoxy-1H-indole-2-carboxamide (PubChem CID 55556675) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-6-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-6-methoxy-1H-indole-2-carboxamide
PubChem CID55556675
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC NameN-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCC(c3cccs3)c3c[nH]c4ccccc34)[nH]c2c1
InChIInChI=1S/C24H21N3O2S/c1-29-16-9-8-15-11-22(27-21(15)12-16)24(28)26-14-19(23-7-4-10-30-23)18-13-25-20-6-3-2-5-17(18)20/h2-13,19,25,27H,14H2,1H3,(H,26,28)
InChIKeyOGGQKJIKJFUAQX-UHFFFAOYSA-N
XLogP5.28
TPSA69.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 55501917
1-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[(4-methoxyphenyl)methyl]thiourea
CID 8771215
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
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55691271
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 55451169
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-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 60519954
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(3-methylphenoxy)propanamide
CID 55329101
2-ethoxy-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 9119210

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-6-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-6-methoxy-1H-indole-2-carboxamide (CID 55556675) is N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-6-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-6-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-6-methoxy-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)NCC(c3cccs3)c3c[nH]c4ccccc34)[nH]c2c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-6-methoxy-1H-indole-2-carboxamide?
The InChIKey is OGGQKJIKJFUAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-29-16-9-8-15-11-22(27-21(15)12-16)24(28)26-14-19(23-7-4-10-30-23)18-13-25-20-6-3-2-5-17(18)20/h2-13,19,25,27H,14H2,1H3,(H,26,28).
What are the key properties of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-6-methoxy-1H-indole-2-carboxamide?
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-6-methoxy-1H-indole-2-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 5.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-6-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 55556675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).