N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide

C21H24N2O4S — CID 60544253

IUPACN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide
SMILESCOc1ccc(C(CNC(=O)C(C)S(C)(=O)=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H24N2O4S/c1-14(28(3,25)26)21(24)23-12-18(15-8-10-16(27-2)11-9-15)19-13-22-20-7-5-4-6-17(19)20/h4-11,13-14,18,22H,12H2,1-3H3,(H,23,24)
InChIKeyWMBCWSQZZIJBKI-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.86
Rot. Bonds7

About N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide

N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide (PubChem CID 60544253) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide
PubChem CID60544253
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide
SMILESCOc1ccc(C(CNC(=O)C(C)S(C)(=O)=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H24N2O4S/c1-14(28(3,25)26)21(24)23-12-18(15-8-10-16(27-2)11-9-15)19-13-22-20-7-5-4-6-17(19)20/h4-11,13-14,18,22H,12H2,1-3H3,(H,23,24)
InChIKeyWMBCWSQZZIJBKI-UHFFFAOYSA-N
XLogP2.86
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 24599842
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
2-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pentanamide
CID 119266811
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801
(2R)-N-ethyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide
CID 8645044
(2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide
CID 8645036
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
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 60521295
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-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide (CID 60544253) is N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide is COc1ccc(C(CNC(=O)C(C)S(C)(=O)=O)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide?
The InChIKey is WMBCWSQZZIJBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-14(28(3,25)26)21(24)23-12-18(15-8-10-16(27-2)11-9-15)19-13-22-20-7-5-4-6-17(19)20/h4-11,13-14,18,22H,12H2,1-3H3,(H,23,24).
What are the key properties of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide?
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide has a molecular weight of 400.50 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 60544253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).