3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide

C25H29N3O6S — CID 24535149

IUPAC3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
SMILESCOc1ccc2c(C)c(CCC(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)c(=O)oc2c1
InChIInChI=1S/C25H29N3O6S/c1-17-21-9-6-19(33-3)16-23(21)34-25(30)22(17)10-11-24(29)26-18-4-7-20(8-5-18)35(31,32)28-14-12-27(2)13-15-28/h4-9,16H,10-15H2,1-3H3,(H,26,29)
InChIKeyUIVQNYSCNZNDTC-UHFFFAOYSA-N
MW499.59 g/mol
LogP2.62
Rot. Bonds7

About 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide

3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide (PubChem CID 24535149) has the molecular formula C25H29N3O6S and a molecular weight of 499.59 g/mol. Its IUPAC name is 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide.

Molecular Properties

Compound Name3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
PubChem CID24535149
Molecular FormulaC25H29N3O6S
Molecular Weight499.59 g/mol
Exact Mass499.18
IUPAC Name3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
SMILESCOc1ccc2c(C)c(CCC(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)c(=O)oc2c1
InChIInChI=1S/C25H29N3O6S/c1-17-21-9-6-19(33-3)16-23(21)34-25(30)22(17)10-11-24(29)26-18-4-7-20(8-5-18)35(31,32)28-14-12-27(2)13-15-28/h4-9,16H,10-15H2,1-3H3,(H,26,29)
InChIKeyUIVQNYSCNZNDTC-UHFFFAOYSA-N
XLogP2.62
TPSA109.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-pyridin-4-ylpropanamide
CID 51297554
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56556066
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 35356789
dimethyl 5-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzene-1,3-dicarboxylate
CID 46650496
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 34464629
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445603
N-(2,4-dimethylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 51272005
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 16604979
7-methoxy-4-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)chromen-2-one
CID 4914201
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 43064323
3-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-3-oxopropyl]-7-methoxy-4-methylchromen-2-one
CID 33046217
N-[3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-4-methylphenyl]-2-methylpropanamide
CID 55708300

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide?
The IUPAC name of 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide (CID 24535149) is 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide.
What is the SMILES notation for 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide?
The canonical SMILES for 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide is COc1ccc2c(C)c(CCC(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)c(=O)oc2c1.
What is the InChIKey of 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide?
The InChIKey is UIVQNYSCNZNDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O6S/c1-17-21-9-6-19(33-3)16-23(21)34-25(30)22(17)10-11-24(29)26-18-4-7-20(8-5-18)35(31,32)28-14-12-27(2)13-15-28/h4-9,16H,10-15H2,1-3H3,(H,26,29).
What are the key properties of 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide?
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide has a molecular weight of 499.59 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide is sourced from PubChem (CID 24535149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).