N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

C20H31N3O5S2 — CID 55338802

IUPACN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)CSCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H31N3O5S2/c1-4-23(5-2)30(26,27)18-8-6-17(7-9-18)16(3)21-19(24)14-29-15-20(25)22-10-12-28-13-11-22/h6-9,16H,4-5,10-15H2,1-3H3,(H,21,24)
InChIKeyXCERFUGYZBKMNE-UHFFFAOYSA-N
MW457.62 g/mol
LogP1.49
Rot. Bonds10

About N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (PubChem CID 55338802) has the molecular formula C20H31N3O5S2 and a molecular weight of 457.62 g/mol. Its IUPAC name is N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
PubChem CID55338802
Molecular FormulaC20H31N3O5S2
Molecular Weight457.62 g/mol
Exact Mass457.17
IUPAC NameN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)CSCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H31N3O5S2/c1-4-23(5-2)30(26,27)18-8-6-17(7-9-18)16(3)21-19(24)14-29-15-20(25)22-10-12-28-13-11-22/h6-9,16H,4-5,10-15H2,1-3H3,(H,21,24)
InChIKeyXCERFUGYZBKMNE-UHFFFAOYSA-N
XLogP1.49
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 55336133
N,N-diethyl-4-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]benzenesulfonamide
CID 8649700
4-[(1S)-1-[[2-(azepan-1-yl)-2-oxoethyl]amino]ethyl]-N,N-diethylbenzenesulfonamide
CID 8643973
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 55364648
3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
CID 119686834
1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55590371
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 55337309
2-anilino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]acetamide
CID 119686819
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(5-methylthiophen-2-yl)acetamide
CID 60580112
N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 28557418
N-[1-(4-chlorophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 43873894

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The IUPAC name of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (CID 55338802) is N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.
What is the SMILES notation for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The canonical SMILES for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is CCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)CSCC(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The InChIKey is XCERFUGYZBKMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O5S2/c1-4-23(5-2)30(26,27)18-8-6-17(7-9-18)16(3)21-19(24)14-29-15-20(25)22-10-12-28-13-11-22/h6-9,16H,4-5,10-15H2,1-3H3,(H,21,24).
What are the key properties of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide has a molecular weight of 457.62 g/mol, XLogP of 1.49, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is sourced from PubChem (CID 55338802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).