(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide

C20H33N3O4S — CID 8899039

IUPAC(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)ccc1C
InChIInChI=1S/C20H33N3O4S/c1-7-23(8-2)28(25,26)19-11-18(10-9-14(19)3)21-20(24)17(6)22-12-15(4)27-16(5)13-22/h9-11,15-17H,7-8,12-13H2,1-6H3,(H,21,24)/t15-,16+,17-/m1/s1
InChIKeyJVUCHMAVBRTZSM-IXDOHACOSA-N
MW411.57 g/mol
LogP2.46
Rot. Bonds7

About (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide

(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide (PubChem CID 8899039) has the molecular formula C20H33N3O4S and a molecular weight of 411.57 g/mol. Its IUPAC name is (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
PubChem CID8899039
Molecular FormulaC20H33N3O4S
Molecular Weight411.57 g/mol
Exact Mass411.22
IUPAC Name(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)ccc1C
InChIInChI=1S/C20H33N3O4S/c1-7-23(8-2)28(25,26)19-11-18(10-9-14(19)3)21-20(24)17(6)22-12-15(4)27-16(5)13-22/h9-11,15-17H,7-8,12-13H2,1-6H3,(H,21,24)/t15-,16+,17-/m1/s1
InChIKeyJVUCHMAVBRTZSM-IXDOHACOSA-N
XLogP2.46
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide
CID 8899041
(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40809914
(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2R)-2-ethylthiomorpholin-4-yl]propanamide
CID 98768353
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 9249085
(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide
CID 41293196
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 43025784
(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-1-ium-1-ylpropanamide
CID 8901543
(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide
CID 30958984
N-(4-acetamidophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 47005800
(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 8772028
ethyl 2-[1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]sulfanylacetate
CID 42971989
N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide
CID 31973095

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide?
The IUPAC name of (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide (CID 8899039) is (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide.
What is the SMILES notation for (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide?
The canonical SMILES for (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)ccc1C.
What is the InChIKey of (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide?
The InChIKey is JVUCHMAVBRTZSM-IXDOHACOSA-N. The full InChI is InChI=1S/C20H33N3O4S/c1-7-23(8-2)28(25,26)19-11-18(10-9-14(19)3)21-20(24)17(6)22-12-15(4)27-16(5)13-22/h9-11,15-17H,7-8,12-13H2,1-6H3,(H,21,24)/t15-,16+,17-/m1/s1.
What are the key properties of (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide?
(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide has a molecular weight of 411.57 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide is sourced from PubChem (CID 8899039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).