2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]acetamide

C20H33N3O5S — CID 97023558

IUPAC2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]acetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCC(=O)NCC(C)(C)N2CCC[C@@H](C)C2)c1
InChIInChI=1S/C20H33N3O5S/c1-15-7-6-10-23(13-15)20(2,3)14-21-19(24)12-22-29(25,26)18-11-16(27-4)8-9-17(18)28-5/h8-9,11,15,22H,6-7,10,12-14H2,1-5H3,(H,21,24)/t15-/m1/s1
InChIKeyJTIFLUCFVMZVDN-OAHLLOKOSA-N
MW427.57 g/mol
LogP1.61
Rot. Bonds9

About 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]acetamide

2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]acetamide (PubChem CID 97023558) has the molecular formula C20H33N3O5S and a molecular weight of 427.57 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]acetamide.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]acetamide
PubChem CID97023558
Molecular FormulaC20H33N3O5S
Molecular Weight427.57 g/mol
Exact Mass427.21
IUPAC Name2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]acetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCC(=O)NCC(C)(C)N2CCC[C@@H](C)C2)c1
InChIInChI=1S/C20H33N3O5S/c1-15-7-6-10-23(13-15)20(2,3)14-21-19(24)12-22-29(25,26)18-11-16(27-4)8-9-17(18)28-5/h8-9,11,15,22H,6-7,10,12-14H2,1-5H3,(H,21,24)/t15-/m1/s1
InChIKeyJTIFLUCFVMZVDN-OAHLLOKOSA-N
XLogP1.61
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethoxy-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 112504854
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 27664736
3-(3-methoxyphenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide
CID 60568816
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-methylbutyl)acetamide
CID 112995202
(E)-3-(3,5-dimethoxyphenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]prop-2-enamide
CID 60568930
3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide
CID 110025007
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 95571348
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-2,5-dimethoxybenzenesulfonamide
CID 112991875
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7995350
5-[(2,5-dimethoxyphenyl)sulfonylamino]-6-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 95065045
2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 112991374
2-[[2-[(2,5-dimethoxyphenyl)sulfonylamino]acetyl]amino]-4-methylpentanamide
CID 3870840

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]acetamide?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]acetamide (CID 97023558) is 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]acetamide.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]acetamide?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]acetamide is COc1ccc(OC)c(S(=O)(=O)NCC(=O)NCC(C)(C)N2CCC[C@@H](C)C2)c1.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]acetamide?
The InChIKey is JTIFLUCFVMZVDN-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H33N3O5S/c1-15-7-6-10-23(13-15)20(2,3)14-21-19(24)12-22-29(25,26)18-11-16(27-4)8-9-17(18)28-5/h8-9,11,15,22H,6-7,10,12-14H2,1-5H3,(H,21,24)/t15-/m1/s1.
What are the key properties of 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]acetamide?
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]acetamide has a molecular weight of 427.57 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]acetamide is sourced from PubChem (CID 97023558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).