N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-(prop-2-enylsulfamoyl)benzamide

C22H27N3O4S — CID 27809540

IUPACN-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1
InChIInChI=1S/C22H27N3O4S/c1-2-12-24-30(27,28)21-10-8-19(9-11-21)22(26)23-15-20-17-25(13-14-29-20)16-18-6-4-3-5-7-18/h2-11,20,24H,1,12-17H2,(H,23,26)/t20-/m1/s1
InChIKeyKYOPJXVTOJJXRE-HXUWFJFHSA-N
MW429.54 g/mol
LogP1.78
Rot. Bonds9

About N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-(prop-2-enylsulfamoyl)benzamide

N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-(prop-2-enylsulfamoyl)benzamide (PubChem CID 27809540) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-(prop-2-enylsulfamoyl)benzamide
PubChem CID27809540
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC NameN-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1
InChIInChI=1S/C22H27N3O4S/c1-2-12-24-30(27,28)21-10-8-19(9-11-21)22(26)23-15-20-17-25(13-14-29-20)16-18-6-4-3-5-7-18/h2-11,20,24H,1,12-17H2,(H,23,26)/t20-/m1/s1
InChIKeyKYOPJXVTOJJXRE-HXUWFJFHSA-N
XLogP1.78
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 43019906
N-[(4-benzylmorpholin-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55526641
N-[(4-benzylmorpholin-2-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 42886737
N-[(4-benzylmorpholin-2-yl)methyl]-9-oxofluorene-2-carboxamide
CID 42939286
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[(4-benzylmorpholin-2-yl)methyl]-2-chloroquinoline-6-carboxamide
CID 55731163
N-[2-[(4-benzylmorpholin-2-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 24640639
N-[(4-benzylmorpholin-2-yl)methyl]-4-propylbenzenesulfonamide
CID 18144537
N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide
CID 17480503
N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]benzamide
CID 90904746
N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 18144535

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-(prop-2-enylsulfamoyl)benzamide (CID 27809540) is N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1.
What is the InChIKey of N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is KYOPJXVTOJJXRE-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-2-12-24-30(27,28)21-10-8-19(9-11-21)22(26)23-15-20-17-25(13-14-29-20)16-18-6-4-3-5-7-18/h2-11,20,24H,1,12-17H2,(H,23,26)/t20-/m1/s1.
What are the key properties of N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-(prop-2-enylsulfamoyl)benzamide?
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 429.54 g/mol, XLogP of 1.78, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 27809540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).