2-[amino-[2-(2-oxo-1-pyridinyl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide

C25H30N4O4S — CID 121321377

IUPAC2-[amino-[2-(2-oxo-1-pyridinyl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide
SMILESCOc1ccc(C(C(=O)Nc2ccc(S(C)(C)C)cc2)N(N)C(=O)Cn2ccccc2=O)cc1
InChIInChI=1S/C25H30N4O4S/c1-33-20-12-8-18(9-13-20)24(29(26)23(31)17-28-16-6-5-7-22(28)30)25(32)27-19-10-14-21(15-11-19)34(2,3)4/h5-16,24H,17,26H2,1-4H3,(H,27,32)
InChIKeyMFVAWZZEFLVXEE-UHFFFAOYSA-N
MW482.61 g/mol
LogP2.99
Rot. Bonds8

About 2-[amino-[2-(2-oxo-1-pyridinyl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide

2-[amino-[2-(2-oxo-1-pyridinyl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide (PubChem CID 121321377) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is 2-[amino-[2-(2-oxo-1-pyridinyl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[amino-[2-(2-oxo-1-pyridinyl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide
PubChem CID121321377
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC Name2-[amino-[2-(2-oxo-1-pyridinyl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide
SMILESCOc1ccc(C(C(=O)Nc2ccc(S(C)(C)C)cc2)N(N)C(=O)Cn2ccccc2=O)cc1
InChIInChI=1S/C25H30N4O4S/c1-33-20-12-8-18(9-13-20)24(29(26)23(31)17-28-16-6-5-7-22(28)30)25(32)27-19-10-14-21(15-11-19)34(2,3)4/h5-16,24H,17,26H2,1-4H3,(H,27,32)
InChIKeyMFVAWZZEFLVXEE-UHFFFAOYSA-N
XLogP2.99
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide
CID 129055040
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1-pyridinyl)acetamide
CID 8620936
N-[1-(4-methoxyphenyl)-2-oxo-2-[4-(trimethyl-λ4-sulfanyl)anilino]ethyl]-N-methyl-2-oxo-3H-1,3-oxazole-4-carboxamide
CID 129055111
2-[[2-(2-ethylimidazol-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide
CID 129055226
3-hydroxy-N-[1-(4-methoxyphenyl)-2-oxo-2-[4-(trimethyl-λ4-sulfanyl)anilino]ethyl]propanamide
CID 129055214
2-(4-methoxyphenyl)-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide
CID 129055039
2-(4-methoxyphenyl)-2-[[2-(tetrazol-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide
CID 129054930
1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-2-one
CID 3613551
N-[1-(4-methoxyphenyl)-2-oxo-2-[4-(trimethyl-λ4-sulfanyl)anilino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 129055060
(2R)-2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide
CID 7044153
2-(2-oxo-1-pyridinyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 8623717
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51206707

Frequently Asked Questions

What is the IUPAC name of 2-[amino-[2-(2-oxo-1-pyridinyl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide?
The IUPAC name of 2-[amino-[2-(2-oxo-1-pyridinyl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide (CID 121321377) is 2-[amino-[2-(2-oxo-1-pyridinyl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-[amino-[2-(2-oxo-1-pyridinyl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide?
The canonical SMILES for 2-[amino-[2-(2-oxo-1-pyridinyl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide is COc1ccc(C(C(=O)Nc2ccc(S(C)(C)C)cc2)N(N)C(=O)Cn2ccccc2=O)cc1.
What is the InChIKey of 2-[amino-[2-(2-oxo-1-pyridinyl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide?
The InChIKey is MFVAWZZEFLVXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-33-20-12-8-18(9-13-20)24(29(26)23(31)17-28-16-6-5-7-22(28)30)25(32)27-19-10-14-21(15-11-19)34(2,3)4/h5-16,24H,17,26H2,1-4H3,(H,27,32).
What are the key properties of 2-[amino-[2-(2-oxo-1-pyridinyl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide?
2-[amino-[2-(2-oxo-1-pyridinyl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide has a molecular weight of 482.61 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-[2-(2-oxo-1-pyridinyl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide is sourced from PubChem (CID 121321377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).