(2R)-N-(cyclopentylideneamino)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide

C17H25N3O4S — CID 40589504

IUPAC(2R)-N-(cyclopentylideneamino)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
SMILESCCOc1ccc(N([C@H](C)C(=O)NN=C2CCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H25N3O4S/c1-4-24-16-11-9-15(10-12-16)20(25(3,22)23)13(2)17(21)19-18-14-7-5-6-8-14/h9-13H,4-8H2,1-3H3,(H,19,21)/t13-/m1/s1
InChIKeyMCHBXYVZSXOPAR-CYBMUJFWSA-N
MW367.47 g/mol
LogP2.29
Rot. Bonds7

About (2R)-N-(cyclopentylideneamino)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide

(2R)-N-(cyclopentylideneamino)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide (PubChem CID 40589504) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is (2R)-N-(cyclopentylideneamino)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-(cyclopentylideneamino)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
PubChem CID40589504
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name(2R)-N-(cyclopentylideneamino)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
SMILESCCOc1ccc(N([C@H](C)C(=O)NN=C2CCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H25N3O4S/c1-4-24-16-11-9-15(10-12-16)20(25(3,22)23)13(2)17(21)19-18-14-7-5-6-8-14/h9-13H,4-8H2,1-3H3,(H,19,21)/t13-/m1/s1
InChIKeyMCHBXYVZSXOPAR-CYBMUJFWSA-N
XLogP2.29
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(cycloheptylideneamino)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 126033079
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 125075204
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 125075203
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 126035412
(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 1320042
2-(4-ethoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 2914975
(2S)-N-(2,5-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1333488
(2S)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 98148776
(2R)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 98148777
(2R)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1311473
(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94014290
(2S)-N-[(4-tert-butylcyclohexylidene)amino]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 126033426

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclopentylideneamino)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-(cyclopentylideneamino)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide (CID 40589504) is (2R)-N-(cyclopentylideneamino)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-(cyclopentylideneamino)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-(cyclopentylideneamino)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide is CCOc1ccc(N([C@H](C)C(=O)NN=C2CCCC2)S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-N-(cyclopentylideneamino)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is MCHBXYVZSXOPAR-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-4-24-16-11-9-15(10-12-16)20(25(3,22)23)13(2)17(21)19-18-14-7-5-6-8-14/h9-13H,4-8H2,1-3H3,(H,19,21)/t13-/m1/s1.
What are the key properties of (2R)-N-(cyclopentylideneamino)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide?
(2R)-N-(cyclopentylideneamino)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 367.47 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclopentylideneamino)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 40589504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).