2-[cyclohexyl-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfonylamino]-N-phenylacetamide

C25H33N3O6S2 — CID 98104629

IUPAC2-[cyclohexyl-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfonylamino]-N-phenylacetamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)Nc1ccccc1
InChIInChI=1S/C25H33N3O6S2/c29-25(27-20-8-3-1-4-9-20)19-28(21-10-5-2-6-11-21)36(32,33)24-15-13-23(14-16-24)35(30,31)26-18-22-12-7-17-34-22/h1,3-4,8-9,13-16,21-22,26H,2,5-7,10-12,17-19H2,(H,27,29)/t22-/m0/s1
InChIKeyRIURXAQVGBRFNG-QFIPXVFZSA-N
MW535.69 g/mol
LogP3.11
Rot. Bonds10

About 2-[cyclohexyl-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfonylamino]-N-phenylacetamide

2-[cyclohexyl-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfonylamino]-N-phenylacetamide (PubChem CID 98104629) has the molecular formula C25H33N3O6S2 and a molecular weight of 535.69 g/mol. Its IUPAC name is 2-[cyclohexyl-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfonylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[cyclohexyl-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfonylamino]-N-phenylacetamide
PubChem CID98104629
Molecular FormulaC25H33N3O6S2
Molecular Weight535.69 g/mol
Exact Mass535.18
IUPAC Name2-[cyclohexyl-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfonylamino]-N-phenylacetamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)Nc1ccccc1
InChIInChI=1S/C25H33N3O6S2/c29-25(27-20-8-3-1-4-9-20)19-28(21-10-5-2-6-11-21)36(32,33)24-15-13-23(14-16-24)35(30,31)26-18-22-12-7-17-34-22/h1,3-4,8-9,13-16,21-22,26H,2,5-7,10-12,17-19H2,(H,27,29)/t22-/m0/s1
InChIKeyRIURXAQVGBRFNG-QFIPXVFZSA-N
XLogP3.11
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.69
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[benzenesulfonyl(cyclohexyl)amino]-N-phenylacetamide
CID 45374457
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-phenylpropanamide
CID 23722959
3-benzylsulfonyl-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 2974345
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 2917382
N-[3-oxo-3-[4-(oxolan-2-ylmethylsulfamoyl)anilino]propyl]benzamide
CID 17154597
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2,2-diphenylacetamide
CID 17147844
4-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1025633
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17161277
4-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 3189952
4-N,4-N-dimethyl-1-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 25040936
2-(4-methylphenyl)-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide
CID 1025737

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfonylamino]-N-phenylacetamide?
The IUPAC name of 2-[cyclohexyl-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfonylamino]-N-phenylacetamide (CID 98104629) is 2-[cyclohexyl-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfonylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[cyclohexyl-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfonylamino]-N-phenylacetamide?
The canonical SMILES for 2-[cyclohexyl-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfonylamino]-N-phenylacetamide is O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)Nc1ccccc1.
What is the InChIKey of 2-[cyclohexyl-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfonylamino]-N-phenylacetamide?
The InChIKey is RIURXAQVGBRFNG-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H33N3O6S2/c29-25(27-20-8-3-1-4-9-20)19-28(21-10-5-2-6-11-21)36(32,33)24-15-13-23(14-16-24)35(30,31)26-18-22-12-7-17-34-22/h1,3-4,8-9,13-16,21-22,26H,2,5-7,10-12,17-19H2,(H,27,29)/t22-/m0/s1.
What are the key properties of 2-[cyclohexyl-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfonylamino]-N-phenylacetamide?
2-[cyclohexyl-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfonylamino]-N-phenylacetamide has a molecular weight of 535.69 g/mol, XLogP of 3.11, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfonylamino]-N-phenylacetamide is sourced from PubChem (CID 98104629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).