methyl N-[4-[3-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]carbamate

C20H29N3O6S — CID 2936374

IUPACmethyl N-[4-[3-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CC(C)OC(C)C3)C2)cc1
InChIInChI=1S/C20H29N3O6S/c1-14-11-22(12-15(2)29-14)19(24)16-5-4-10-23(13-16)30(26,27)18-8-6-17(7-9-18)21-20(25)28-3/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,21,25)
InChIKeyUVZSKYMVEDYOFL-UHFFFAOYSA-N
MW439.53 g/mol
LogP1.90
Rot. Bonds4

About methyl N-[4-[3-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]carbamate

methyl N-[4-[3-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]carbamate (PubChem CID 2936374) has the molecular formula C20H29N3O6S and a molecular weight of 439.53 g/mol. Its IUPAC name is methyl N-[4-[3-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[3-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]carbamate
PubChem CID2936374
Molecular FormulaC20H29N3O6S
Molecular Weight439.53 g/mol
Exact Mass439.18
IUPAC Namemethyl N-[4-[3-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CC(C)OC(C)C3)C2)cc1
InChIInChI=1S/C20H29N3O6S/c1-14-11-22(12-15(2)29-14)19(24)16-5-4-10-23(13-16)30(26,27)18-8-6-17(7-9-18)21-20(25)28-3/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,21,25)
InChIKeyUVZSKYMVEDYOFL-UHFFFAOYSA-N
XLogP1.90
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Propanamide, N-(4-aminosulfonylphenyl)-3-(4-morpholyl)-
CID 567846
N-(4-{[3-(morpholin-4-yl)propyl]sulfamoyl}phenyl)acetamide
CID 2144799
Carbamic acid, (4-(((3-(4-morpholinyl)propyl)amino)sulfonyl)phenyl)-, ethyl ester
CID 2185728
Ethyl 1-{[4-(acetylamino)phenyl]sulfonyl}piperidine-3-carboxylate
CID 2905048
2,2-dimethyl-3-(2-methylprop-1-en-1-yl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]cyclopropanecarboxamide
CID 5298782
Methyl 4-{[3-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonyl}phenylcarbamate
CID 2936379
1-[4-(Morpholine-4-sulfonyl)-phenyl]-piperidine-4-carboxylic acid isobutyl-amide
CID 648784
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
N-(4-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1105149
N-(4-{[4-(2-morpholino-2-oxoethyl)piperazino]sulfonyl}phenyl)acetamide
CID 2815598
1-(3-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2985943
methyl N-(4-{[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}phenyl)carbamate
CID 3518695

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[3-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]carbamate?
The IUPAC name of methyl N-[4-[3-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]carbamate (CID 2936374) is methyl N-[4-[3-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]carbamate.
What is the SMILES notation for methyl N-[4-[3-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]carbamate?
The canonical SMILES for methyl N-[4-[3-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]carbamate is COC(=O)Nc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CC(C)OC(C)C3)C2)cc1.
What is the InChIKey of methyl N-[4-[3-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]carbamate?
The InChIKey is UVZSKYMVEDYOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O6S/c1-14-11-22(12-15(2)29-14)19(24)16-5-4-10-23(13-16)30(26,27)18-8-6-17(7-9-18)21-20(25)28-3/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,21,25).
What are the key properties of methyl N-[4-[3-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]carbamate?
methyl N-[4-[3-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]carbamate has a molecular weight of 439.53 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[3-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]carbamate is sourced from PubChem (CID 2936374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).