4-(1,3-oxazol-4-yl)-N-[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]benzenesulfonamide

C26H30N4O4S — CID 71290294

IUPAC4-(1,3-oxazol-4-yl)-N-[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]benzenesulfonamide
SMILESO=C(C1CCC(NS(=O)(=O)c2ccc(-c3cocn3)cc2)CC1)N1CCNCC1c1ccccc1
InChIInChI=1S/C26H30N4O4S/c31-26(30-15-14-27-16-25(30)20-4-2-1-3-5-20)21-6-10-22(11-7-21)29-35(32,33)23-12-8-19(9-13-23)24-17-34-18-28-24/h1-5,8-9,12-13,17-18,21-22,25,27,29H,6-7,10-11,14-16H2
InChIKeyIDWSNQSNHQTUQD-UHFFFAOYSA-N
MW494.62 g/mol
LogP3.35
Rot. Bonds6

About 4-(1,3-oxazol-4-yl)-N-[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]benzenesulfonamide

4-(1,3-oxazol-4-yl)-N-[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]benzenesulfonamide (PubChem CID 71290294) has the molecular formula C26H30N4O4S and a molecular weight of 494.62 g/mol. Its IUPAC name is 4-(1,3-oxazol-4-yl)-N-[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(1,3-oxazol-4-yl)-N-[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]benzenesulfonamide
PubChem CID71290294
Molecular FormulaC26H30N4O4S
Molecular Weight494.62 g/mol
Exact Mass494.20
IUPAC Name4-(1,3-oxazol-4-yl)-N-[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]benzenesulfonamide
SMILESO=C(C1CCC(NS(=O)(=O)c2ccc(-c3cocn3)cc2)CC1)N1CCNCC1c1ccccc1
InChIInChI=1S/C26H30N4O4S/c31-26(30-15-14-27-16-25(30)20-4-2-1-3-5-20)21-6-10-22(11-7-21)29-35(32,33)23-12-8-19(9-13-23)24-17-34-18-28-24/h1-5,8-9,12-13,17-18,21-22,25,27,29H,6-7,10-11,14-16H2
InChIKeyIDWSNQSNHQTUQD-UHFFFAOYSA-N
XLogP3.35
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(1,3-oxazol-4-yl)-N-[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]benzenesulfonamide with MolForge

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Related Compounds

ethyl 4-[4-[[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]sulfamoyl]phenyl]benzoate
CID 77478338
N-[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine-7-sulfonamide
CID 90216749
N-[4-[(2S)-2-phenylpiperazine-1-carbonyl]cyclohexyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine-7-sulfonamide
CID 90216745
3-(ethylamino)-4-methyl-N-[4-[(2S)-2-phenylpiperazine-1-carbonyl]cyclohexyl]benzenesulfonamide
CID 53236702
N-[4-(3-methyl-5-oxo-2-phenylpiperazine-1-carbonyl)cyclohexyl]-4-phenylbenzenesulfonamide
CID 58292002
3-[4-[4-[[4-(3-phenylmorpholine-4-carbonyl)cyclohexyl]sulfamoyl]phenyl]phenyl]propanoic acid
CID 58292072
(3R,6R)-6-phenyl-1-[4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexanecarbonyl]piperidine-3-carboxylic acid
CID 53238039
1-(2-phenylpiperazin-1-yl)propan-1-one
CID 73440047
methyl 1-[4-[(4-bromophenyl)sulfonylamino]cyclohexanecarbonyl]-5-phenylpyrrolidine-3-carboxylate
CID 58291842
N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630
2-phenylpiperazine-1-carbonyl chloride
CID 154387784
cyclopropyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 44783596

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-4-yl)-N-[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-(1,3-oxazol-4-yl)-N-[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]benzenesulfonamide (CID 71290294) is 4-(1,3-oxazol-4-yl)-N-[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-(1,3-oxazol-4-yl)-N-[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-(1,3-oxazol-4-yl)-N-[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]benzenesulfonamide is O=C(C1CCC(NS(=O)(=O)c2ccc(-c3cocn3)cc2)CC1)N1CCNCC1c1ccccc1.
What is the InChIKey of 4-(1,3-oxazol-4-yl)-N-[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]benzenesulfonamide?
The InChIKey is IDWSNQSNHQTUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4S/c31-26(30-15-14-27-16-25(30)20-4-2-1-3-5-20)21-6-10-22(11-7-21)29-35(32,33)23-12-8-19(9-13-23)24-17-34-18-28-24/h1-5,8-9,12-13,17-18,21-22,25,27,29H,6-7,10-11,14-16H2.
What are the key properties of 4-(1,3-oxazol-4-yl)-N-[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]benzenesulfonamide?
4-(1,3-oxazol-4-yl)-N-[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]benzenesulfonamide has a molecular weight of 494.62 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-4-yl)-N-[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 71290294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).