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

C21H24N2O4S — CID 125463928

IUPACN-[(2S)-2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide
SMILESCOc1ccc2c(c1)c([C@H](C)CNC(C)=O)cn2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H24N2O4S/c1-14-5-8-18(9-6-14)28(25,26)23-13-20(15(2)12-22-16(3)24)19-11-17(27-4)7-10-21(19)23/h5-11,13,15H,12H2,1-4H3,(H,22,24)/t15-/m1/s1
InChIKeyNEKPKXJTVAGNEM-OAHLLOKOSA-N
MW400.50 g/mol
LogP3.43
Rot. Bonds6

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

N-[(2S)-2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide (PubChem CID 125463928) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[(2S)-2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide
PubChem CID125463928
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-[(2S)-2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide
SMILESCOc1ccc2c(c1)c([C@H](C)CNC(C)=O)cn2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H24N2O4S/c1-14-5-8-18(9-6-14)28(25,26)23-13-20(15(2)12-22-16(3)24)19-11-17(27-4)7-10-21(19)23/h5-11,13,15H,12H2,1-4H3,(H,22,24)/t15-/m1/s1
InChIKeyNEKPKXJTVAGNEM-OAHLLOKOSA-N
XLogP3.43
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-[5-hydroxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide
CID 125464001
methyl N-[[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]methyl]carbamate
CID 11538315
3-iodo-5-methoxy-1-(4-methylphenyl)sulfonylindole
CID 11339335
5-methoxy-1-(4-methylphenyl)sulfonylindole-3-carbaldehyde
CID 14403889
3-[bis(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylindole
CID 132561494
2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine;hydrochloride
CID 21258548
tributyl-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]stannane
CID 59364221
5-methoxy-1-(4-methylphenyl)sulfonyl-3-[(E)-2-nitroethenyl]indole
CID 102196401
5-methoxy-1-(4-methylphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10024749
5-ethoxy-3-ethyl-1-(4-methylphenyl)sulfonylindole
CID 143660405
methyl 2-amino-2-[1-(4-methylphenyl)sulfonylindol-3-yl]acetate
CID 134818170
3-(chloromethyl)-5-methoxy-1-(4-propan-2-ylphenyl)sulfonylindole
CID 69192857

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide?
The IUPAC name of N-[(2S)-2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide (CID 125463928) is N-[(2S)-2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide.
What is the SMILES notation for N-[(2S)-2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide?
The canonical SMILES for N-[(2S)-2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide is COc1ccc2c(c1)c([C@H](C)CNC(C)=O)cn2S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(2S)-2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide?
The InChIKey is NEKPKXJTVAGNEM-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-14-5-8-18(9-6-14)28(25,26)23-13-20(15(2)12-22-16(3)24)19-11-17(27-4)7-10-21(19)23/h5-11,13,15H,12H2,1-4H3,(H,22,24)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide?
N-[(2S)-2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide has a molecular weight of 400.50 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide is sourced from PubChem (CID 125463928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).