(2R,3S)-N-[3-(benzenesulfonamido)-4-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride

C19H24ClN3O4S — CID 120922520

IUPAC(2R,3S)-N-[3-(benzenesulfonamido)-4-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1NS(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C19H23N3O4S.ClH/c1-13-8-9-15(21-19(23)18-14(2)26-11-10-20-18)12-17(13)22-27(24,25)16-6-4-3-5-7-16;/h3-9,12,14,18,20,22H,10-11H2,1-2H3,(H,21,23);1H/t14-,18+;/m1./s1
InChIKeyGUIQGDVIFUTTRU-CQZNTPMBSA-N
MW425.94 g/mol
LogP2.53
Rot. Bonds5

About (2R,3S)-N-[3-(benzenesulfonamido)-4-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[3-(benzenesulfonamido)-4-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120922520) has the molecular formula C19H24ClN3O4S and a molecular weight of 425.94 g/mol. Its IUPAC name is (2R,3S)-N-[3-(benzenesulfonamido)-4-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[3-(benzenesulfonamido)-4-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120922520
Molecular FormulaC19H24ClN3O4S
Molecular Weight425.94 g/mol
Exact Mass425.12
IUPAC Name(2R,3S)-N-[3-(benzenesulfonamido)-4-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1NS(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C19H23N3O4S.ClH/c1-13-8-9-15(21-19(23)18-14(2)26-11-10-20-18)12-17(13)22-27(24,25)16-6-4-3-5-7-16;/h3-9,12,14,18,20,22H,10-11H2,1-2H3,(H,21,23);1H/t14-,18+;/m1./s1
InChIKeyGUIQGDVIFUTTRU-CQZNTPMBSA-N
XLogP2.53
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,3S)-N-[3-(benzenesulfonamido)-4-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120921201
(2R,3S)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926431
(2R,3S)-2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide
CID 120931980
(2S,5R)-5-(aminomethyl)-N-[3-(benzenesulfonamido)-4-methylphenyl]oxolane-2-carboxamide;hydrochloride
CID 120786315
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
(2R,3S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 120934935
(2R,3S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120923924
(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917297
(2R,3S)-N-(4-bromo-2-methylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120918516
(2R,3S)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120932574
(2R,3S)-2-methyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120935775
(2R,3S)-2-methyl-N-[4-(3-methylsulfonylphenoxy)phenyl]morpholine-3-carboxamide
CID 120934345

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[3-(benzenesulfonamido)-4-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[3-(benzenesulfonamido)-4-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120922520) is (2R,3S)-N-[3-(benzenesulfonamido)-4-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[3-(benzenesulfonamido)-4-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[3-(benzenesulfonamido)-4-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride is Cc1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1NS(=O)(=O)c1ccccc1.Cl.
What is the InChIKey of (2R,3S)-N-[3-(benzenesulfonamido)-4-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is GUIQGDVIFUTTRU-CQZNTPMBSA-N. The full InChI is InChI=1S/C19H23N3O4S.ClH/c1-13-8-9-15(21-19(23)18-14(2)26-11-10-20-18)12-17(13)22-27(24,25)16-6-4-3-5-7-16;/h3-9,12,14,18,20,22H,10-11H2,1-2H3,(H,21,23);1H/t14-,18+;/m1./s1.
What are the key properties of (2R,3S)-N-[3-(benzenesulfonamido)-4-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[3-(benzenesulfonamido)-4-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 425.94 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[3-(benzenesulfonamido)-4-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120922520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).