N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]-1-benzofuran-2-carboxamide

C24H25N5O5S — CID 69451737

IUPACN-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]-1-benzofuran-2-carboxamide
SMILESNS(=O)(=O)NCCCCC(NC(=O)c1cc2ccccc2o1)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C24H25N5O5S/c25-35(32,33)27-14-4-3-10-19(29-24(31)21-15-17-7-1-2-12-20(17)34-21)23(30)28-18-11-5-8-16-9-6-13-26-22(16)18/h1-2,5-9,11-13,15,19,27H,3-4,10,14H2,(H,28,30)(H,29,31)(H2,25,32,33)
InChIKeyKTCATEJSIZJENE-UHFFFAOYSA-N
MW495.56 g/mol
LogP2.68
Rot. Bonds10

About N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]-1-benzofuran-2-carboxamide

N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 69451737) has the molecular formula C24H25N5O5S and a molecular weight of 495.56 g/mol. Its IUPAC name is N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]-1-benzofuran-2-carboxamide
PubChem CID69451737
Molecular FormulaC24H25N5O5S
Molecular Weight495.56 g/mol
Exact Mass495.16
IUPAC NameN-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]-1-benzofuran-2-carboxamide
SMILESNS(=O)(=O)NCCCCC(NC(=O)c1cc2ccccc2o1)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C24H25N5O5S/c25-35(32,33)27-14-4-3-10-19(29-24(31)21-15-17-7-1-2-12-20(17)34-21)23(30)28-18-11-5-8-16-9-6-13-26-22(16)18/h1-2,5-9,11-13,15,19,27H,3-4,10,14H2,(H,28,30)(H,29,31)(H2,25,32,33)
InChIKeyKTCATEJSIZJENE-UHFFFAOYSA-N
XLogP2.68
TPSA156.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 52.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]-1-benzofuran-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]quinoline-8-carboxamide
CID 59028912
butyl N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]carbamate
CID 69446621
N-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxo-6-(sulfamoylamino)hexan-2-yl]-1-benzofuran-2-carboxamide
CID 69454007
benzyl N-[1-[(6-methoxyquinolin-8-yl)amino]-1-oxo-6-(sulfamoylamino)hexan-2-yl]carbamate
CID 74430725
N-quinolin-8-yl-6-(sulfamoylamino)hexanamide
CID 25216936
tert-butyl N-[[(5S)-5-(benzylcarbamoylamino)-6-oxo-6-(quinolin-8-ylamino)hexyl]sulfamoyl]carbamate
CID 69407277
2-methyl-5-phenyl-N-quinolin-8-ylpentanamide
CID 175900489
benzyl N-[(2S)-1-oxo-6-[(2-phenylmethoxyacetyl)amino]-1-(quinolin-8-ylamino)hexan-2-yl]carbamate
CID 11953063
tert-butyl N-[[(5S)-5-[(4-fluorophenyl)methoxycarbonylamino]-6-oxo-6-(quinolin-8-ylamino)hexyl]sulfamoyl]carbamate
CID 71148114
methyl 3-[2-[[(2S)-5-amino-2-(1-benzofuran-2-carbonylamino)pentanoyl]amino]phenyl]propanoate
CID 91261098
8-[[(2S)-2-[(4-fluorophenyl)methoxycarbonylamino]-6-(sulfinoamino)hexanoyl]amino]quinoline
CID 71148112
N-[(4S)-4-(1-benzofuran-2-carbonylamino)-5-oxo-5-(2-phenylethylamino)pentyl]-1-benzofuran-2-carboxamide
CID 141117128

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]-1-benzofuran-2-carboxamide (CID 69451737) is N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]-1-benzofuran-2-carboxamide is NS(=O)(=O)NCCCCC(NC(=O)c1cc2ccccc2o1)C(=O)Nc1cccc2cccnc12.
What is the InChIKey of N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is KTCATEJSIZJENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5S/c25-35(32,33)27-14-4-3-10-19(29-24(31)21-15-17-7-1-2-12-20(17)34-21)23(30)28-18-11-5-8-16-9-6-13-26-22(16)18/h1-2,5-9,11-13,15,19,27H,3-4,10,14H2,(H,28,30)(H,29,31)(H2,25,32,33).
What are the key properties of N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]-1-benzofuran-2-carboxamide?
N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 495.56 g/mol, XLogP of 2.68, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 69451737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).