N-(3,4-diethoxyphenyl)-2-[methyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide

C22H30N4O6S — CID 4840625

IUPACN-(3,4-diethoxyphenyl)-2-[methyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide
SMILESCCOc1ccc(NC(=O)CN(C)c2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1OCC
InChIInChI=1S/C22H30N4O6S/c1-4-31-19-8-6-17(14-20(19)32-5-2)24-22(27)16-25(3)21-9-7-18(15-23-21)33(28,29)26-10-12-30-13-11-26/h6-9,14-15H,4-5,10-13,16H2,1-3H3,(H,24,27)
InChIKeyMFCXGSADPFVSNI-UHFFFAOYSA-N
MW478.57 g/mol
LogP1.97
Rot. Bonds10

About N-(3,4-diethoxyphenyl)-2-[methyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide

N-(3,4-diethoxyphenyl)-2-[methyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide (PubChem CID 4840625) has the molecular formula C22H30N4O6S and a molecular weight of 478.57 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-2-[methyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-2-[methyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide
PubChem CID4840625
Molecular FormulaC22H30N4O6S
Molecular Weight478.57 g/mol
Exact Mass478.19
IUPAC NameN-(3,4-diethoxyphenyl)-2-[methyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide
SMILESCCOc1ccc(NC(=O)CN(C)c2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1OCC
InChIInChI=1S/C22H30N4O6S/c1-4-31-19-8-6-17(14-20(19)32-5-2)24-22(27)16-25(3)21-9-7-18(15-23-21)33(28,29)26-10-12-30-13-11-26/h6-9,14-15H,4-5,10-13,16H2,1-3H3,(H,24,27)
InChIKeyMFCXGSADPFVSNI-UHFFFAOYSA-N
XLogP1.97
TPSA110.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-2-[methyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-2-[methyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide (CID 4840625) is N-(3,4-diethoxyphenyl)-2-[methyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-2-[methyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-2-[methyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide is CCOc1ccc(NC(=O)CN(C)c2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-2-[methyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide?
The InChIKey is MFCXGSADPFVSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O6S/c1-4-31-19-8-6-17(14-20(19)32-5-2)24-22(27)16-25(3)21-9-7-18(15-23-21)33(28,29)26-10-12-30-13-11-26/h6-9,14-15H,4-5,10-13,16H2,1-3H3,(H,24,27).
What are the key properties of N-(3,4-diethoxyphenyl)-2-[methyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide?
N-(3,4-diethoxyphenyl)-2-[methyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide has a molecular weight of 478.57 g/mol, XLogP of 1.97, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-2-[methyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide is sourced from PubChem (CID 4840625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).