2-(4-methoxyphenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)ethanesulfonamide

C18H30N2O4S — CID 86818230

IUPAC2-(4-methoxyphenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NCC(C(C)C)N2CCOCC2)cc1
InChIInChI=1S/C18H30N2O4S/c1-15(2)18(20-9-11-24-12-10-20)14-19-25(21,22)13-8-16-4-6-17(23-3)7-5-16/h4-7,15,18-19H,8-14H2,1-3H3
InChIKeyCVTHOHVNRRBYCE-UHFFFAOYSA-N
MW370.52 g/mol
LogP1.51
Rot. Bonds9

About 2-(4-methoxyphenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)ethanesulfonamide

2-(4-methoxyphenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)ethanesulfonamide (PubChem CID 86818230) has the molecular formula C18H30N2O4S and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)ethanesulfonamide
PubChem CID86818230
Molecular FormulaC18H30N2O4S
Molecular Weight370.52 g/mol
Exact Mass370.19
IUPAC Name2-(4-methoxyphenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NCC(C(C)C)N2CCOCC2)cc1
InChIInChI=1S/C18H30N2O4S/c1-15(2)18(20-9-11-24-12-10-20)14-19-25(21,22)13-8-16-4-6-17(23-3)7-5-16/h4-7,15,18-19H,8-14H2,1-3H3
InChIKeyCVTHOHVNRRBYCE-UHFFFAOYSA-N
XLogP1.51
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]ethanesulfonamide
CID 16890665
4-(4-methoxyphenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide
CID 55519495
4-[4-(4-methoxyphenyl)butan-2-yl]morpholine
CID 2846261
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-methoxyphenyl)propanamide
CID 75691751
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 44892273
1-[(4-methoxyphenyl)methyl]-1,2-dimethyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111272980
2-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]ethanesulfonamide
CID 29344525
N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 29238068
1-(4-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]methanesulfonamide
CID 16891059
4-tert-butyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzenesulfonamide
CID 42938553
N-[(4-methoxyphenyl)methyl]morpholine-4-sulfonamide
CID 51335175
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 71798200

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)ethanesulfonamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)ethanesulfonamide (CID 86818230) is 2-(4-methoxyphenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)ethanesulfonamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)ethanesulfonamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)ethanesulfonamide is COc1ccc(CCS(=O)(=O)NCC(C(C)C)N2CCOCC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)ethanesulfonamide?
The InChIKey is CVTHOHVNRRBYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4S/c1-15(2)18(20-9-11-24-12-10-20)14-19-25(21,22)13-8-16-4-6-17(23-3)7-5-16/h4-7,15,18-19H,8-14H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)ethanesulfonamide?
2-(4-methoxyphenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)ethanesulfonamide has a molecular weight of 370.52 g/mol, XLogP of 1.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)ethanesulfonamide is sourced from PubChem (CID 86818230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).