[(2S,3S)-3,4-bis[[methyl(propan-2-yl)sulfamoyl]amino]butan-2-yl]benzene

C18H34N4O4S2 — CID 124880364

IUPAC[(2S,3S)-3,4-bis[[methyl(propan-2-yl)sulfamoyl]amino]butan-2-yl]benzene
SMILESCC(C)N(C)S(=O)(=O)NC[C@@H](NS(=O)(=O)N(C)C(C)C)[C@@H](C)c1ccccc1
InChIInChI=1S/C18H34N4O4S2/c1-14(2)21(6)27(23,24)19-13-18(16(5)17-11-9-8-10-12-17)20-28(25,26)22(7)15(3)4/h8-12,14-16,18-20H,13H2,1-7H3/t16-,18+/m0/s1
InChIKeyGCVYRORWFHIPJJ-FUHWJXTLSA-N
MW434.63 g/mol
LogP1.51
Rot. Bonds11

About [(2S,3S)-3,4-bis[[methyl(propan-2-yl)sulfamoyl]amino]butan-2-yl]benzene

[(2S,3S)-3,4-bis[[methyl(propan-2-yl)sulfamoyl]amino]butan-2-yl]benzene (PubChem CID 124880364) has the molecular formula C18H34N4O4S2 and a molecular weight of 434.63 g/mol. Its IUPAC name is [(2S,3S)-3,4-bis[[methyl(propan-2-yl)sulfamoyl]amino]butan-2-yl]benzene.

Molecular Properties

Compound Name[(2S,3S)-3,4-bis[[methyl(propan-2-yl)sulfamoyl]amino]butan-2-yl]benzene
PubChem CID124880364
Molecular FormulaC18H34N4O4S2
Molecular Weight434.63 g/mol
Exact Mass434.20
IUPAC Name[(2S,3S)-3,4-bis[[methyl(propan-2-yl)sulfamoyl]amino]butan-2-yl]benzene
SMILESCC(C)N(C)S(=O)(=O)NC[C@@H](NS(=O)(=O)N(C)C(C)C)[C@@H](C)c1ccccc1
InChIInChI=1S/C18H34N4O4S2/c1-14(2)21(6)27(23,24)19-13-18(16(5)17-11-9-8-10-12-17)20-28(25,26)22(7)15(3)4/h8-12,14-16,18-20H,13H2,1-7H3/t16-,18+/m0/s1
InChIKeyGCVYRORWFHIPJJ-FUHWJXTLSA-N
XLogP1.51
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.63
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,3S)-3,4-bis[[methyl(propan-2-yl)sulfamoyl]amino]butan-2-yl]benzene
CID 124880366
[1-amino-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
CID 61453712
[2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
CID 55151705
[methyl-[(2R)-1-[[methyl(propan-2-yl)sulfamoyl]amino]propan-2-yl]amino]benzene
CID 94025295
[cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene
CID 54947098
4-[[methyl(propan-2-yl)sulfamoyl]amino]-4-phenylbutanoic acid
CID 61455733
1-(aminomethyl)-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene
CID 62951963
2-(dimethylamino)-N-[2-[[2-(dimethylamino)acetyl]amino]-3-phenylbutyl]acetamide
CID 126803798
[1-amino-2-[[ethyl(methyl)sulfamoyl]amino]ethyl]benzene
CID 119976145
(2S)-1-hydroxy-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 79255703
N'-(ethylsulfamoyl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 110620930
N-(2-phenylpropyl)methanesulfonamide
CID 47121755

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3,4-bis[[methyl(propan-2-yl)sulfamoyl]amino]butan-2-yl]benzene?
The IUPAC name of [(2S,3S)-3,4-bis[[methyl(propan-2-yl)sulfamoyl]amino]butan-2-yl]benzene (CID 124880364) is [(2S,3S)-3,4-bis[[methyl(propan-2-yl)sulfamoyl]amino]butan-2-yl]benzene.
What is the SMILES notation for [(2S,3S)-3,4-bis[[methyl(propan-2-yl)sulfamoyl]amino]butan-2-yl]benzene?
The canonical SMILES for [(2S,3S)-3,4-bis[[methyl(propan-2-yl)sulfamoyl]amino]butan-2-yl]benzene is CC(C)N(C)S(=O)(=O)NC[C@@H](NS(=O)(=O)N(C)C(C)C)[C@@H](C)c1ccccc1.
What is the InChIKey of [(2S,3S)-3,4-bis[[methyl(propan-2-yl)sulfamoyl]amino]butan-2-yl]benzene?
The InChIKey is GCVYRORWFHIPJJ-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H34N4O4S2/c1-14(2)21(6)27(23,24)19-13-18(16(5)17-11-9-8-10-12-17)20-28(25,26)22(7)15(3)4/h8-12,14-16,18-20H,13H2,1-7H3/t16-,18+/m0/s1.
What are the key properties of [(2S,3S)-3,4-bis[[methyl(propan-2-yl)sulfamoyl]amino]butan-2-yl]benzene?
[(2S,3S)-3,4-bis[[methyl(propan-2-yl)sulfamoyl]amino]butan-2-yl]benzene has a molecular weight of 434.63 g/mol, XLogP of 1.51, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3,4-bis[[methyl(propan-2-yl)sulfamoyl]amino]butan-2-yl]benzene is sourced from PubChem (CID 124880364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).