2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide

C18H23N3O4S — CID 41446698

IUPAC2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccnc2)cc1C
InChIInChI=1S/C18H23N3O4S/c1-4-25-17-8-7-16(10-14(17)2)26(23,24)21(3)13-18(22)20-12-15-6-5-9-19-11-15/h5-11H,4,12-13H2,1-3H3,(H,20,22)
InChIKeyHZJLSJYAKYXEJH-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.73
Rot. Bonds8

About 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide

2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 41446698) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID41446698
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccnc2)cc1C
InChIInChI=1S/C18H23N3O4S/c1-4-25-17-8-7-16(10-14(17)2)26(23,24)21(3)13-18(22)20-12-15-6-5-9-19-11-15/h5-11H,4,12-13H2,1-3H3,(H,20,22)
InChIKeyHZJLSJYAKYXEJH-UHFFFAOYSA-N
XLogP1.73
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 1073007
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2993335
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 45373757
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 41446708
1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 3162887
2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100797309
3-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 38019578
ethyl 3-oxo-3-(pyridin-3-ylmethylamino)propanoate
CID 110465393
3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 669602
2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(2,2-dimethylpropyl)acetamide
CID 100799193
N-[(3,4-diethoxyphenyl)methyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30277070
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 51344682

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide (CID 41446698) is 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide is CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccnc2)cc1C.
What is the InChIKey of 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is HZJLSJYAKYXEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-4-25-17-8-7-16(10-14(17)2)26(23,24)21(3)13-18(22)20-12-15-6-5-9-19-11-15/h5-11H,4,12-13H2,1-3H3,(H,20,22).
What are the key properties of 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide?
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 377.47 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 41446698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).