N-cyclohexyl-2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide

C25H33N3O5S — CID 27280616

IUPACN-cyclohexyl-2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide
SMILESCCOc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C25H33N3O5S/c1-4-33-21-16-14-20(15-17-21)28(34(3,31)32)18(2)24(29)27-23-13-9-8-12-22(23)25(30)26-19-10-6-5-7-11-19/h8-9,12-19H,4-7,10-11H2,1-3H3,(H,26,30)(H,27,29)/t18-/m1/s1
InChIKeyRVGXSBWIKPKFMY-GOSISDBHSA-N
MW487.62 g/mol
LogP3.94
Rot. Bonds9

About N-cyclohexyl-2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide

N-cyclohexyl-2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide (PubChem CID 27280616) has the molecular formula C25H33N3O5S and a molecular weight of 487.62 g/mol. Its IUPAC name is N-cyclohexyl-2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide
PubChem CID27280616
Molecular FormulaC25H33N3O5S
Molecular Weight487.62 g/mol
Exact Mass487.21
IUPAC NameN-cyclohexyl-2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide
SMILESCCOc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C25H33N3O5S/c1-4-33-21-16-14-20(15-17-21)28(34(3,31)32)18(2)24(29)27-23-13-9-8-12-22(23)25(30)26-19-10-6-5-7-11-19/h8-9,12-19H,4-7,10-11H2,1-3H3,(H,26,30)(H,27,29)/t18-/m1/s1
InChIKeyRVGXSBWIKPKFMY-GOSISDBHSA-N
XLogP3.94
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.62
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-[2-(4-ethoxy-N-methylsulfonylanilino)propanoylamino]benzamide
CID 3334104
2-[[(2S)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]-N-(2-methylpropyl)benzamide
CID 982429
2-[2-(4-ethoxy-N-methylsulfonylanilino)propanoylamino]-N-(2-methylpropyl)benzamide
CID 4088711
2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide
CID 126029750
(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 40823003
(2S)-N-(2-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1322346
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 7342420
2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide
CID 3954255
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 126319620
methyl 3-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]-2-methylbenzoate
CID 126266508
(2S)-N-cyclohexyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 126032376
2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide
CID 21372170

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide (CID 27280616) is N-cyclohexyl-2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide is CCOc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-cyclohexyl-2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide?
The InChIKey is RVGXSBWIKPKFMY-GOSISDBHSA-N. The full InChI is InChI=1S/C25H33N3O5S/c1-4-33-21-16-14-20(15-17-21)28(34(3,31)32)18(2)24(29)27-23-13-9-8-12-22(23)25(30)26-19-10-6-5-7-11-19/h8-9,12-19H,4-7,10-11H2,1-3H3,(H,26,30)(H,27,29)/t18-/m1/s1.
What are the key properties of N-cyclohexyl-2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide?
N-cyclohexyl-2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide has a molecular weight of 487.62 g/mol, XLogP of 3.94, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide is sourced from PubChem (CID 27280616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).