1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea

C12H19N3O3S — CID 94196351

IUPAC1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea
SMILESCCNC(=O)N[C@H](C)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C12H19N3O3S/c1-4-13-12(16)14-9(2)10-6-5-7-11(8-10)15-19(3,17)18/h5-9,15H,4H2,1-3H3,(H2,13,14,16)/t9-/m1/s1
InChIKeyGPFBETVUAZJMEZ-SECBINFHSA-N
MW285.37 g/mol
LogP1.44
Rot. Bonds5

About 1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea

1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea (PubChem CID 94196351) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea
PubChem CID94196351
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea
SMILESCCNC(=O)N[C@H](C)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C12H19N3O3S/c1-4-13-12(16)14-9(2)10-6-5-7-11(8-10)15-19(3,17)18/h5-9,15H,4H2,1-3H3,(H2,13,14,16)/t9-/m1/s1
InChIKeyGPFBETVUAZJMEZ-SECBINFHSA-N
XLogP1.44
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-2-methylhexanamide
CID 100733908
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(propanoylamino)benzamide
CID 55837471
1-(2,4-difluorophenyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]urea
CID 47050813
N-[1-[3-(methanesulfonamido)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 71939059
1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea
CID 16608992
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 55666139
3,3-dicyclopropyl-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]propanamide
CID 52516223
2-(2-ethoxyphenoxy)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]acetamide
CID 55711360
1-ethyl-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 4126910
N-[2-[[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 51942411
(2S,3R)-2-ethyl-N-[1-[3-(methanesulfonamido)phenyl]ethyl]oxolane-3-carboxamide
CID 138027732
3-(2,4-dichlorophenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide
CID 55711196

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea?
The IUPAC name of 1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea (CID 94196351) is 1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea.
What is the SMILES notation for 1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea?
The canonical SMILES for 1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea is CCNC(=O)N[C@H](C)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of 1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea?
The InChIKey is GPFBETVUAZJMEZ-SECBINFHSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-4-13-12(16)14-9(2)10-6-5-7-11(8-10)15-19(3,17)18/h5-9,15H,4H2,1-3H3,(H2,13,14,16)/t9-/m1/s1.
What are the key properties of 1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea?
1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea has a molecular weight of 285.37 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea is sourced from PubChem (CID 94196351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).