2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]butan-2-yl]benzamide

C26H29N3O4S — CID 55707207

IUPAC2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]butan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)NC(CCSC)C(=O)NCc1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C26H29N3O4S/c1-32-23-11-7-6-10-21(23)25(30)29-22(13-15-34-2)26(31)28-17-20-12-14-27-24(16-20)33-18-19-8-4-3-5-9-19/h3-12,14,16,22H,13,15,17-18H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyUVPIDTYXMPAGAS-UHFFFAOYSA-N
MW479.60 g/mol
LogP3.84
Rot. Bonds12

About 2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]butan-2-yl]benzamide

2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]butan-2-yl]benzamide (PubChem CID 55707207) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is 2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]butan-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]butan-2-yl]benzamide
PubChem CID55707207
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC Name2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]butan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)NC(CCSC)C(=O)NCc1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C26H29N3O4S/c1-32-23-11-7-6-10-21(23)25(30)29-22(13-15-34-2)26(31)28-17-20-12-14-27-24(16-20)33-18-19-8-4-3-5-9-19/h3-12,14,16,22H,13,15,17-18H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyUVPIDTYXMPAGAS-UHFFFAOYSA-N
XLogP3.84
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]butan-2-yl]benzamide with MolForge

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Related Compounds

2-(ethylsulfonylamino)-4-methylsulfanyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide
CID 56569468
N-[(2R)-1-[(4-fluorophenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 8000374
2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[[2-(phenoxymethyl)phenyl]methylamino]butan-2-yl]benzamide
CID 43062598
2-methoxy-N-[(2R)-4-methylsulfanyl-1-oxo-1-(prop-2-ynylamino)butan-2-yl]benzamide
CID 9267245
2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]butan-2-yl]benzamide
CID 55693632
N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 42987174
2-methoxy-N-[4-methylsulfanyl-1-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylamino]-1-oxobutan-2-yl]benzamide
CID 56544277
2-methoxy-N-[4-methylsulfanyl-1-[(5-methylthiophen-2-yl)methylamino]-1-oxobutan-2-yl]benzamide
CID 55749351
N-[1-[2-(3,4-diethoxyphenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 43001783
N-[1-oxo-3-phenyl-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]propan-2-yl]furan-2-carboxamide
CID 46475647
N-[1-[[3-(dimethylamino)-3-oxopropyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55752115
N-[1-[2-[(3-cyano-2-pyridinyl)amino]ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55729115

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]butan-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]butan-2-yl]benzamide (CID 55707207) is 2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]butan-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]butan-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]butan-2-yl]benzamide is COc1ccccc1C(=O)NC(CCSC)C(=O)NCc1ccnc(OCc2ccccc2)c1.
What is the InChIKey of 2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]butan-2-yl]benzamide?
The InChIKey is UVPIDTYXMPAGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-32-23-11-7-6-10-21(23)25(30)29-22(13-15-34-2)26(31)28-17-20-12-14-27-24(16-20)33-18-19-8-4-3-5-9-19/h3-12,14,16,22H,13,15,17-18H2,1-2H3,(H,28,31)(H,29,30).
What are the key properties of 2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]butan-2-yl]benzamide?
2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]butan-2-yl]benzamide has a molecular weight of 479.60 g/mol, XLogP of 3.84, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]butan-2-yl]benzamide is sourced from PubChem (CID 55707207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).