N-[3-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide

C25H31N3O5S — CID 43049764

IUPACN-[3-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2cccc(NC(=O)C3CCCO3)c2)cc1
InChIInChI=1S/C25H31N3O5S/c1-28(21-9-3-2-4-10-21)34(31,32)22-14-12-19(13-15-22)26-24(29)18-7-5-8-20(17-18)27-25(30)23-11-6-16-33-23/h5,7-8,12-15,17,21,23H,2-4,6,9-11,16H2,1H3,(H,26,29)(H,27,30)
InChIKeyQNCOXWFCXHBSCV-UHFFFAOYSA-N
MW485.61 g/mol
LogP4.01
Rot. Bonds7

About N-[3-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide

N-[3-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 43049764) has the molecular formula C25H31N3O5S and a molecular weight of 485.61 g/mol. Its IUPAC name is N-[3-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID43049764
Molecular FormulaC25H31N3O5S
Molecular Weight485.61 g/mol
Exact Mass485.20
IUPAC NameN-[3-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2cccc(NC(=O)C3CCCO3)c2)cc1
InChIInChI=1S/C25H31N3O5S/c1-28(21-9-3-2-4-10-21)34(31,32)22-14-12-19(13-15-22)26-24(29)18-7-5-8-20(17-18)27-25(30)23-11-6-16-33-23/h5,7-8,12-15,17,21,23H,2-4,6,9-11,16H2,1H3,(H,26,29)(H,27,30)
InChIKeyQNCOXWFCXHBSCV-UHFFFAOYSA-N
XLogP4.01
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 43049727
(2S)-N-[3-[(4-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 32800947
(2S)-N-[3-(dimethylsulfamoyl)phenyl]oxolane-2-carboxamide
CID 8961578
4-[cyclopentyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656046
N-(4-chlorophenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 2666126
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634846
N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42943923
4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methanesulfonamido)phenyl]benzamide
CID 43057657
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-propoxybenzamide
CID 4960073
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 4955000
3-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]carbamoyl]benzoic acid
CID 2231825
(2S)-N-[4-[(3-fluorobenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 37396645

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide (CID 43049764) is N-[3-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2cccc(NC(=O)C3CCCO3)c2)cc1.
What is the InChIKey of N-[3-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is QNCOXWFCXHBSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5S/c1-28(21-9-3-2-4-10-21)34(31,32)22-14-12-19(13-15-22)26-24(29)18-7-5-8-20(17-18)27-25(30)23-11-6-16-33-23/h5,7-8,12-15,17,21,23H,2-4,6,9-11,16H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-[3-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide?
N-[3-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 485.61 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 43049764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).