(2R,3S)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methylmorpholine-3-carboxamide

C18H29N3O4S — CID 120919058

IUPAC(2R,3S)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methylmorpholine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)[C@H]2NCCO[C@@H]2C)cc1
InChIInChI=1S/C18H29N3O4S/c1-5-21(6-2)26(23,24)16-9-7-15(8-10-16)13(3)20-18(22)17-14(4)25-12-11-19-17/h7-10,13-14,17,19H,5-6,11-12H2,1-4H3,(H,20,22)/t13?,14-,17+/m1/s1
InChIKeyZZRLUYLZPHLOQU-ROFXEPAZSA-N
MW383.51 g/mol
LogP1.27
Rot. Bonds7

About (2R,3S)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120919058) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is (2R,3S)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methylmorpholine-3-carboxamide
PubChem CID120919058
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name(2R,3S)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methylmorpholine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)[C@H]2NCCO[C@@H]2C)cc1
InChIInChI=1S/C18H29N3O4S/c1-5-21(6-2)26(23,24)16-9-7-15(8-10-16)13(3)20-18(22)17-14(4)25-12-11-19-17/h7-10,13-14,17,19H,5-6,11-12H2,1-4H3,(H,20,22)/t13?,14-,17+/m1/s1
InChIKeyZZRLUYLZPHLOQU-ROFXEPAZSA-N
XLogP1.27
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]morpholine-3-carboxamide
CID 120918965
(2R,3S)-N-[1-(4-bromophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120928221
(2R,3S)-2-methyl-N-[1-(4-propoxyphenyl)ethyl]morpholine-3-carboxamide
CID 120923306
(2R,3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methylmorpholine-3-carboxamide
CID 120924044
(2R,3S)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120925471
(2R,3S)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120942394
3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119686806
N-butan-2-yl-2-methylmorpholine-3-carboxamide
CID 130647463
(2R,3S)-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120931321
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119269825
(2R,3S)-N-[1-(2,4-difluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120918983

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methylmorpholine-3-carboxamide (CID 120919058) is (2R,3S)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methylmorpholine-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)[C@H]2NCCO[C@@H]2C)cc1.
What is the InChIKey of (2R,3S)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is ZZRLUYLZPHLOQU-ROFXEPAZSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-5-21(6-2)26(23,24)16-9-7-15(8-10-16)13(3)20-18(22)17-14(4)25-12-11-19-17/h7-10,13-14,17,19H,5-6,11-12H2,1-4H3,(H,20,22)/t13?,14-,17+/m1/s1.
What are the key properties of (2R,3S)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 383.51 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120919058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).