1-[4-[[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]phenyl]sulfonyl-3-cyclohexylurea

C19H25N5O4S2 — CID 25121243

IUPAC1-[4-[[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]phenyl]sulfonyl-3-cyclohexylurea
SMILESN#C[C@@H]1CSCN1C(=O)CNc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H25N5O4S2/c20-10-16-12-29-13-24(16)18(25)11-21-14-6-8-17(9-7-14)30(27,28)23-19(26)22-15-4-2-1-3-5-15/h6-9,15-16,21H,1-5,11-13H2,(H2,22,23,26)/t16-/m1/s1
InChIKeyVCRZIUPIIDUJHG-MRXNPFEDSA-N
MW451.57 g/mol
LogP1.84
Rot. Bonds6

About 1-[4-[[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]phenyl]sulfonyl-3-cyclohexylurea

1-[4-[[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]phenyl]sulfonyl-3-cyclohexylurea (PubChem CID 25121243) has the molecular formula C19H25N5O4S2 and a molecular weight of 451.57 g/mol. Its IUPAC name is 1-[4-[[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]phenyl]sulfonyl-3-cyclohexylurea.

Molecular Properties

Compound Name1-[4-[[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]phenyl]sulfonyl-3-cyclohexylurea
PubChem CID25121243
Molecular FormulaC19H25N5O4S2
Molecular Weight451.57 g/mol
Exact Mass451.13
IUPAC Name1-[4-[[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]phenyl]sulfonyl-3-cyclohexylurea
SMILESN#C[C@@H]1CSCN1C(=O)CNc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H25N5O4S2/c20-10-16-12-29-13-24(16)18(25)11-21-14-6-8-17(9-7-14)30(27,28)23-19(26)22-15-4-2-1-3-5-15/h6-9,15-16,21H,1-5,11-13H2,(H2,22,23,26)/t16-/m1/s1
InChIKeyVCRZIUPIIDUJHG-MRXNPFEDSA-N
XLogP1.84
TPSA131.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[4-[[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]phenyl]sulfonyl-3-cyclohexylurea with MolForge

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Related Compounds

1-[4-[[[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]-cyclohexylmethyl]phenyl]sulfonyl-3-(4-methylcyclohexyl)urea
CID 25122681
1-[4-[1-[[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]propyl]phenyl]sulfonyl-3-(4-methylcyclohexyl)urea
CID 25122679
1-[4-[[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]methyl]phenyl]sulfonyl-3-cyclohexylurea
CID 25121600
1-cyclohexyl-3-(4-ethylphenyl)sulfonylurea
CID 10495173
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(2S)-1-(2-anilinoacetyl)pyrrolidine-2-carbonitrile
CID 71567750
N-cyclooctyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetamide
CID 78862058
1-cyclohexyl-3-(4-phenoxyphenyl)sulfonylurea
CID 163582481
(4R)-3-[2-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]amino]acetyl]-1,3-thiazolidine-4-carbonitrile
CID 139987548
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]ethanimidate
CID 100950927
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,3,4,5,6-pentafluorobenzamide
CID 10346554
1-cycloheptyl-3-(3,4-dimethylphenyl)sulfonylurea
CID 154210091

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]phenyl]sulfonyl-3-cyclohexylurea?
The IUPAC name of 1-[4-[[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]phenyl]sulfonyl-3-cyclohexylurea (CID 25121243) is 1-[4-[[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]phenyl]sulfonyl-3-cyclohexylurea.
What is the SMILES notation for 1-[4-[[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]phenyl]sulfonyl-3-cyclohexylurea?
The canonical SMILES for 1-[4-[[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]phenyl]sulfonyl-3-cyclohexylurea is N#C[C@@H]1CSCN1C(=O)CNc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 1-[4-[[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]phenyl]sulfonyl-3-cyclohexylurea?
The InChIKey is VCRZIUPIIDUJHG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N5O4S2/c20-10-16-12-29-13-24(16)18(25)11-21-14-6-8-17(9-7-14)30(27,28)23-19(26)22-15-4-2-1-3-5-15/h6-9,15-16,21H,1-5,11-13H2,(H2,22,23,26)/t16-/m1/s1.
What are the key properties of 1-[4-[[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]phenyl]sulfonyl-3-cyclohexylurea?
1-[4-[[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]phenyl]sulfonyl-3-cyclohexylurea has a molecular weight of 451.57 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]phenyl]sulfonyl-3-cyclohexylurea is sourced from PubChem (CID 25121243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).