2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide

C18H23N3O4S — CID 6493568

IUPAC2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NC(C)C(=O)NCc2ccccn2)cc1C
InChIInChI=1S/C18H23N3O4S/c1-4-25-17-9-8-16(11-13(17)2)26(23,24)21-14(3)18(22)20-12-15-7-5-6-10-19-15/h5-11,14,21H,4,12H2,1-3H3,(H,20,22)
InChIKeyUIVMXOOGCWAHGV-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.77
Rot. Bonds8

About 2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide

2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 6493568) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID6493568
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NC(C)C(=O)NCc2ccccn2)cc1C
InChIInChI=1S/C18H23N3O4S/c1-4-25-17-9-8-16(11-13(17)2)26(23,24)21-14(3)18(22)20-12-15-7-5-6-10-19-15/h5-11,14,21H,4,12H2,1-3H3,(H,20,22)
InChIKeyUIVMXOOGCWAHGV-UHFFFAOYSA-N
XLogP1.77
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethoxy-3-methylphenyl)sulfonylamino]propanoic acid
CID 6462452
4-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]benzenesulfonamide
CID 51597397
(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
CID 30165111
4-ethoxy-3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 7377815
(2R)-N-(2,5-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]propanamide
CID 28549474
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 43870904
(2R)-N-(furan-2-ylmethyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 93480656
(2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 30165324
(2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 30144142
(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-[(1R)-1-phenylethyl]propanamide
CID 30143939
2-(methylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 62637273
2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-prop-2-enylpropanamide
CID 43890809

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide (CID 6493568) is 2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide is CCOc1ccc(S(=O)(=O)NC(C)C(=O)NCc2ccccn2)cc1C.
What is the InChIKey of 2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is UIVMXOOGCWAHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-4-25-17-9-8-16(11-13(17)2)26(23,24)21-14(3)18(22)20-12-15-7-5-6-10-19-15/h5-11,14,21H,4,12H2,1-3H3,(H,20,22).
What are the key properties of 2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide?
2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 377.47 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 6493568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).