N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine

C23H24N4O3S2 — CID 17448641

IUPACN-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NCC(c2cccs2)c2c[nH]c3ccccc23)nc1)N1CCOCC1
InChIInChI=1S/C23H24N4O3S2/c28-32(29,27-9-11-30-12-10-27)17-7-8-23(25-14-17)26-16-20(22-6-3-13-31-22)19-15-24-21-5-2-1-4-18(19)21/h1-8,13-15,20,24H,9-12,16H2,(H,25,26)
InChIKeyDAHZNQHESQESRH-UHFFFAOYSA-N
MW468.60 g/mol
LogP3.89
Rot. Bonds7

About N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine

N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine (PubChem CID 17448641) has the molecular formula C23H24N4O3S2 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
PubChem CID17448641
Molecular FormulaC23H24N4O3S2
Molecular Weight468.60 g/mol
Exact Mass468.13
IUPAC NameN-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NCC(c2cccs2)c2c[nH]c3ccccc23)nc1)N1CCOCC1
InChIInChI=1S/C23H24N4O3S2/c28-32(29,27-9-11-30-12-10-27)17-7-8-23(25-14-17)26-16-20(22-6-3-13-31-22)19-15-24-21-5-2-1-4-18(19)21/h1-8,13-15,20,24H,9-12,16H2,(H,25,26)
InChIKeyDAHZNQHESQESRH-UHFFFAOYSA-N
XLogP3.89
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine with MolForge

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Related Compounds

1-(2-methoxyphenyl)-N,N-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine
CID 55346754
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide
CID 42934711
4-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzene-1,4-disulfonamide
CID 40818667
(2S)-1-(1H-indol-3-yl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one
CID 41103443
N-(4-methyl-2-morpholin-4-ylpentyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55521187
5-morpholin-4-ylsulfonyl-N-[(1-phenylcyclobutyl)methyl]pyridin-2-amine
CID 47018135
N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-nitropyridin-2-amine
CID 46817468
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133306070
[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium
CID 2113395
N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 17401125
5-morpholin-4-ylsulfonyl-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 9211241
5-morpholin-4-ylsulfonyl-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-2-amine
CID 133380160

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine (CID 17448641) is N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine is O=S(=O)(c1ccc(NCC(c2cccs2)c2c[nH]c3ccccc23)nc1)N1CCOCC1.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The InChIKey is DAHZNQHESQESRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S2/c28-32(29,27-9-11-30-12-10-27)17-7-8-23(25-14-17)26-16-20(22-6-3-13-31-22)19-15-24-21-5-2-1-4-18(19)21/h1-8,13-15,20,24H,9-12,16H2,(H,25,26).
What are the key properties of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine has a molecular weight of 468.60 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 17448641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).