N-[4-[[4-(cyclohexylamino)-2-oxochromen-3-yl]sulfamoyl]phenyl]acetamide

C23H25N3O5S — CID 20959264

IUPACN-[4-[[4-(cyclohexylamino)-2-oxochromen-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2c(NC3CCCCC3)c3ccccc3oc2=O)cc1
InChIInChI=1S/C23H25N3O5S/c1-15(27)24-17-11-13-18(14-12-17)32(29,30)26-22-21(25-16-7-3-2-4-8-16)19-9-5-6-10-20(19)31-23(22)28/h5-6,9-14,16,25-26H,2-4,7-8H2,1H3,(H,24,27)
InChIKeyVMBUHCLFBWQHSO-UHFFFAOYSA-N
MW455.54 g/mol
LogP4.30
Rot. Bonds6

About N-[4-[[4-(cyclohexylamino)-2-oxochromen-3-yl]sulfamoyl]phenyl]acetamide

N-[4-[[4-(cyclohexylamino)-2-oxochromen-3-yl]sulfamoyl]phenyl]acetamide (PubChem CID 20959264) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-[4-[[4-(cyclohexylamino)-2-oxochromen-3-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(cyclohexylamino)-2-oxochromen-3-yl]sulfamoyl]phenyl]acetamide
PubChem CID20959264
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC NameN-[4-[[4-(cyclohexylamino)-2-oxochromen-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2c(NC3CCCCC3)c3ccccc3oc2=O)cc1
InChIInChI=1S/C23H25N3O5S/c1-15(27)24-17-11-13-18(14-12-17)32(29,30)26-22-21(25-16-7-3-2-4-8-16)19-9-5-6-10-20(19)31-23(22)28/h5-6,9-14,16,25-26H,2-4,7-8H2,1H3,(H,24,27)
InChIKeyVMBUHCLFBWQHSO-UHFFFAOYSA-N
XLogP4.30
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(cyclohexylamino)-2-oxochromen-3-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(cyclohexylamino)-2-oxochromen-3-yl]sulfamoyl]phenyl]acetamide (CID 20959264) is N-[4-[[4-(cyclohexylamino)-2-oxochromen-3-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(cyclohexylamino)-2-oxochromen-3-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(cyclohexylamino)-2-oxochromen-3-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2c(NC3CCCCC3)c3ccccc3oc2=O)cc1.
What is the InChIKey of N-[4-[[4-(cyclohexylamino)-2-oxochromen-3-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is VMBUHCLFBWQHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-15(27)24-17-11-13-18(14-12-17)32(29,30)26-22-21(25-16-7-3-2-4-8-16)19-9-5-6-10-20(19)31-23(22)28/h5-6,9-14,16,25-26H,2-4,7-8H2,1H3,(H,24,27).
What are the key properties of N-[4-[[4-(cyclohexylamino)-2-oxochromen-3-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[4-(cyclohexylamino)-2-oxochromen-3-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 455.54 g/mol, XLogP of 4.30, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(cyclohexylamino)-2-oxochromen-3-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 20959264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).