N-[(2S)-2-[5-hydroxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide

C20H22N2O4S — CID 125464001

IUPACN-[(2S)-2-[5-hydroxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide
SMILESCC(=O)NC[C@@H](C)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccc(O)cc12
InChIInChI=1S/C20H22N2O4S/c1-13-4-7-17(8-5-13)27(25,26)22-12-19(14(2)11-21-15(3)23)18-10-16(24)6-9-20(18)22/h4-10,12,14,24H,11H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyURIZJBMGQIAMKZ-CQSZACIVSA-N
MW386.47 g/mol
LogP3.13
Rot. Bonds5

About N-[(2S)-2-[5-hydroxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide

N-[(2S)-2-[5-hydroxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide (PubChem CID 125464001) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[(2S)-2-[5-hydroxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-[5-hydroxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide
PubChem CID125464001
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-[(2S)-2-[5-hydroxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide
SMILESCC(=O)NC[C@@H](C)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccc(O)cc12
InChIInChI=1S/C20H22N2O4S/c1-13-4-7-17(8-5-13)27(25,26)22-12-19(14(2)11-21-15(3)23)18-10-16(24)6-9-20(18)22/h4-10,12,14,24H,11H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyURIZJBMGQIAMKZ-CQSZACIVSA-N
XLogP3.13
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide
CID 125463928
1-(4-methylphenyl)sulfonyl-3-propylindol-5-ol
CID 59444295
methyl (2R,3S)-2,3-dihydroxy-3-[1-(4-methylphenyl)sulfonylindol-3-yl]propanoate
CID 11153480
methyl 2-amino-2-[1-(4-methylphenyl)sulfonylindol-3-yl]acetate
CID 134818170
methyl N-[[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]methyl]carbamate
CID 11538315
N-[2-(4-hydroxyphenyl)propyl]acetamide
CID 14579439
1-(4-methylphenyl)sulfonyl-3-propan-2-ylpyrrolo[2,3-c]pyridine-5-carbaldehyde
CID 155268495
5-ethoxy-3-ethyl-1-(4-methylphenyl)sulfonylindole
CID 143660405
tert-butyl N-[(1R)-2-hydroxy-1-[1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]carbamate
CID 71490277
(2S)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-oxo-4-phenylbutanenitrile
CID 162417672
[3,5-dimethyl-4-[[1-(4-methylphenyl)sulfonyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-5-yl]methyl]phenyl]boronic acid
CID 155637463
3-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonylindol-5-ol
CID 142780064

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[5-hydroxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide?
The IUPAC name of N-[(2S)-2-[5-hydroxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide (CID 125464001) is N-[(2S)-2-[5-hydroxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide.
What is the SMILES notation for N-[(2S)-2-[5-hydroxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide?
The canonical SMILES for N-[(2S)-2-[5-hydroxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide is CC(=O)NC[C@@H](C)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccc(O)cc12.
What is the InChIKey of N-[(2S)-2-[5-hydroxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide?
The InChIKey is URIZJBMGQIAMKZ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-13-4-7-17(8-5-13)27(25,26)22-12-19(14(2)11-21-15(3)23)18-10-16(24)6-9-20(18)22/h4-10,12,14,24H,11H2,1-3H3,(H,21,23)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-[5-hydroxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide?
N-[(2S)-2-[5-hydroxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide has a molecular weight of 386.47 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[5-hydroxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide is sourced from PubChem (CID 125464001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).