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

C19H23N3O5S — CID 126029750

IUPAC2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide
SMILESCCOc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(N)=O)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23N3O5S/c1-4-27-15-11-9-14(10-12-15)22(28(3,25)26)13(2)19(24)21-17-8-6-5-7-16(17)18(20)23/h5-13H,4H2,1-3H3,(H2,20,23)(H,21,24)/t13-/m1/s1
InChIKeyRALJNLXXDMXIAM-CYBMUJFWSA-N
MW405.48 g/mol
LogP1.98
Rot. Bonds8

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

2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide (PubChem CID 126029750) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide
PubChem CID126029750
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide
SMILESCCOc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(N)=O)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23N3O5S/c1-4-27-15-11-9-14(10-12-15)22(28(3,25)26)13(2)19(24)21-17-8-6-5-7-16(17)18(20)23/h5-13H,4H2,1-3H3,(H2,20,23)(H,21,24)/t13-/m1/s1
InChIKeyRALJNLXXDMXIAM-CYBMUJFWSA-N
XLogP1.98
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-ethoxy-N-methylsulfonylanilino)propanoylamino]-N-(2-methylpropyl)benzamide
CID 4088711
2-[[(2S)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]-N-(2-methylpropyl)benzamide
CID 982429
(2S)-N-(2-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1322346
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 7342420
(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 40823003
2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide
CID 3954255
N-cyclohexyl-2-[2-(4-ethoxy-N-methylsulfonylanilino)propanoylamino]benzamide
CID 3334104
N-cyclohexyl-2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide
CID 27280616
methyl 3-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]-2-methylbenzoate
CID 126266508
ethyl 2-[[(2S)-2-(4-methoxy-N-methylsulfonylanilino)propanoyl]amino]benzoate
CID 1004380
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 126319620
2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide
CID 21372170

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide?
The IUPAC name of 2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide (CID 126029750) is 2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide.
What is the SMILES notation for 2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide?
The canonical SMILES for 2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide is CCOc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(N)=O)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide?
The InChIKey is RALJNLXXDMXIAM-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-4-27-15-11-9-14(10-12-15)22(28(3,25)26)13(2)19(24)21-17-8-6-5-7-16(17)18(20)23/h5-13H,4H2,1-3H3,(H2,20,23)(H,21,24)/t13-/m1/s1.
What are the key properties of 2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide?
2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide has a molecular weight of 405.48 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide is sourced from PubChem (CID 126029750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).