N-[3-(butylsulfamoyl)phenyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide

C24H28N2O5S — CID 24532840

IUPACN-[3-(butylsulfamoyl)phenyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)c1
InChIInChI=1S/C24H28N2O5S/c1-4-5-13-25-32(29,30)19-8-6-7-18(15-19)26-23(27)12-11-21-17(3)20-10-9-16(2)14-22(20)31-24(21)28/h6-10,14-15,25H,4-5,11-13H2,1-3H3,(H,26,27)
InChIKeyAOHQIRIBFHTHRE-UHFFFAOYSA-N
MW456.56 g/mol
LogP4.06
Rot. Bonds9

About N-[3-(butylsulfamoyl)phenyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide

N-[3-(butylsulfamoyl)phenyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide (PubChem CID 24532840) has the molecular formula C24H28N2O5S and a molecular weight of 456.56 g/mol. Its IUPAC name is N-[3-(butylsulfamoyl)phenyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-(butylsulfamoyl)phenyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide
PubChem CID24532840
Molecular FormulaC24H28N2O5S
Molecular Weight456.56 g/mol
Exact Mass456.17
IUPAC NameN-[3-(butylsulfamoyl)phenyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)c1
InChIInChI=1S/C24H28N2O5S/c1-4-5-13-25-32(29,30)19-8-6-7-18(15-19)26-23(27)12-11-21-17(3)20-10-9-16(2)14-22(20)31-24(21)28/h6-10,14-15,25H,4-5,11-13H2,1-3H3,(H,26,27)
InChIKeyAOHQIRIBFHTHRE-UHFFFAOYSA-N
XLogP4.06
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(butylsulfamoyl)phenyl]-3-(3,4-difluorophenyl)propanamide
CID 46547078
N-(2-bromophenyl)-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide
CID 17498930
N-[3-(butylsulfamoyl)phenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 24612056
ethyl 3-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzoate
CID 6237174
3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 18145814
N-[3-(butylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 8510926
N-[3-(butylsulfamoyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
CID 30829010
N-[3-(butylsulfamoyl)phenyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 24513463
N-(3-cyanophenyl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 51271966
N-[3-(butylsulfamoyl)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047643
N-[3-(butylsulfamoyl)phenyl]-2-diethoxyphosphorylacetamide
CID 3854038
N-[3-[3-(butylsulfamoyl)anilino]-3-oxopropyl]furan-3-carboxamide
CID 38748493

Frequently Asked Questions

What is the IUPAC name of N-[3-(butylsulfamoyl)phenyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide?
The IUPAC name of N-[3-(butylsulfamoyl)phenyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide (CID 24532840) is N-[3-(butylsulfamoyl)phenyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide.
What is the SMILES notation for N-[3-(butylsulfamoyl)phenyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide?
The canonical SMILES for N-[3-(butylsulfamoyl)phenyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide is CCCCNS(=O)(=O)c1cccc(NC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)c1.
What is the InChIKey of N-[3-(butylsulfamoyl)phenyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide?
The InChIKey is AOHQIRIBFHTHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5S/c1-4-5-13-25-32(29,30)19-8-6-7-18(15-19)26-23(27)12-11-21-17(3)20-10-9-16(2)14-22(20)31-24(21)28/h6-10,14-15,25H,4-5,11-13H2,1-3H3,(H,26,27).
What are the key properties of N-[3-(butylsulfamoyl)phenyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide?
N-[3-(butylsulfamoyl)phenyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide has a molecular weight of 456.56 g/mol, XLogP of 4.06, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butylsulfamoyl)phenyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide is sourced from PubChem (CID 24532840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).