(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2R)-2-ethylthiomorpholin-4-yl]propanamide

C20H33N3O3S2 — CID 98768353

IUPAC(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2R)-2-ethylthiomorpholin-4-yl]propanamide
SMILESCC[C@@H]1CN([C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)CCS1
InChIInChI=1S/C20H33N3O3S2/c1-6-18-14-22(11-12-27-18)16(5)20(24)21-17-10-9-15(4)19(13-17)28(25,26)23(7-2)8-3/h9-10,13,16,18H,6-8,11-12,14H2,1-5H3,(H,21,24)/t16-,18-/m1/s1
InChIKeyQRPLUJYIQZSBQH-SJLPKXTDSA-N
MW427.64 g/mol
LogP3.18
Rot. Bonds8

About (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2R)-2-ethylthiomorpholin-4-yl]propanamide

(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2R)-2-ethylthiomorpholin-4-yl]propanamide (PubChem CID 98768353) has the molecular formula C20H33N3O3S2 and a molecular weight of 427.64 g/mol. Its IUPAC name is (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2R)-2-ethylthiomorpholin-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2R)-2-ethylthiomorpholin-4-yl]propanamide
PubChem CID98768353
Molecular FormulaC20H33N3O3S2
Molecular Weight427.64 g/mol
Exact Mass427.20
IUPAC Name(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2R)-2-ethylthiomorpholin-4-yl]propanamide
SMILESCC[C@@H]1CN([C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)CCS1
InChIInChI=1S/C20H33N3O3S2/c1-6-18-14-22(11-12-27-18)16(5)20(24)21-17-10-9-15(4)19(13-17)28(25,26)23(7-2)8-3/h9-10,13,16,18H,6-8,11-12,14H2,1-5H3,(H,21,24)/t16-,18-/m1/s1
InChIKeyQRPLUJYIQZSBQH-SJLPKXTDSA-N
XLogP3.18
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.64
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 8899039
(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40809914
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 43025784
(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide
CID 41293196
(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
ethyl 2-[1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]sulfanylacetate
CID 42971989
(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide
CID 8899041
(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 8772028
[(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772027
(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanamide
CID 41101694
(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 25407940

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2R)-2-ethylthiomorpholin-4-yl]propanamide?
The IUPAC name of (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2R)-2-ethylthiomorpholin-4-yl]propanamide (CID 98768353) is (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2R)-2-ethylthiomorpholin-4-yl]propanamide.
What is the SMILES notation for (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2R)-2-ethylthiomorpholin-4-yl]propanamide?
The canonical SMILES for (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2R)-2-ethylthiomorpholin-4-yl]propanamide is CC[C@@H]1CN([C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)CCS1.
What is the InChIKey of (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2R)-2-ethylthiomorpholin-4-yl]propanamide?
The InChIKey is QRPLUJYIQZSBQH-SJLPKXTDSA-N. The full InChI is InChI=1S/C20H33N3O3S2/c1-6-18-14-22(11-12-27-18)16(5)20(24)21-17-10-9-15(4)19(13-17)28(25,26)23(7-2)8-3/h9-10,13,16,18H,6-8,11-12,14H2,1-5H3,(H,21,24)/t16-,18-/m1/s1.
What are the key properties of (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2R)-2-ethylthiomorpholin-4-yl]propanamide?
(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2R)-2-ethylthiomorpholin-4-yl]propanamide has a molecular weight of 427.64 g/mol, XLogP of 3.18, 8 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-[(2R)-2-ethylthiomorpholin-4-yl]propanamide is sourced from PubChem (CID 98768353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).