N-[3-[3-(butylsulfamoyl)anilino]-3-oxopropyl]furan-3-carboxamide

C18H23N3O5S — CID 38748493

IUPACN-[3-[3-(butylsulfamoyl)anilino]-3-oxopropyl]furan-3-carboxamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)CCNC(=O)c2ccoc2)c1
InChIInChI=1S/C18H23N3O5S/c1-2-3-9-20-27(24,25)16-6-4-5-15(12-16)21-17(22)7-10-19-18(23)14-8-11-26-13-14/h4-6,8,11-13,20H,2-3,7,9-10H2,1H3,(H,19,23)(H,21,22)
InChIKeyOYWKBNFGFSXDCX-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.12
Rot. Bonds10

About N-[3-[3-(butylsulfamoyl)anilino]-3-oxopropyl]furan-3-carboxamide

N-[3-[3-(butylsulfamoyl)anilino]-3-oxopropyl]furan-3-carboxamide (PubChem CID 38748493) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[3-[3-(butylsulfamoyl)anilino]-3-oxopropyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(butylsulfamoyl)anilino]-3-oxopropyl]furan-3-carboxamide
PubChem CID38748493
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC NameN-[3-[3-(butylsulfamoyl)anilino]-3-oxopropyl]furan-3-carboxamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)CCNC(=O)c2ccoc2)c1
InChIInChI=1S/C18H23N3O5S/c1-2-3-9-20-27(24,25)16-6-4-5-15(12-16)21-17(22)7-10-19-18(23)14-8-11-26-13-14/h4-6,8,11-13,20H,2-3,7,9-10H2,1H3,(H,19,23)(H,21,22)
InChIKeyOYWKBNFGFSXDCX-UHFFFAOYSA-N
XLogP2.12
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(butylsulfamoyl)phenyl]-2-diethoxyphosphorylacetamide
CID 3854038
N-[3-[3-(2-aminoethylsulfamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
CID 119465293
N-[3-(butylsulfamoyl)phenyl]-3-(3,4-difluorophenyl)propanamide
CID 46547078
N-[3-(butylsulfamoyl)phenyl]-3-(ethylsulfonylamino)benzamide
CID 24672448
N-[3-(butylsulfamoyl)phenyl]-2-(2,4-dichlorophenyl)acetamide
CID 17419461
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pentanamide
CID 51154986
N-[3-(butylsulfamoyl)phenyl]-3-chlorocyclobutane-1-carboxamide
CID 126830291
N'-[3-(2-aminoethylsulfamoyl)phenyl]-N-ethylpentanediamide
CID 119465943
N-[3-(butylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 8510926
3-methyl-N-[3-oxo-3-[4-(propylsulfamoyl)anilino]propyl]benzamide
CID 17191568
N-[3-(butylsulfamoyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 26698637
N-[3-(butylsulfamoyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
CID 30829010

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(butylsulfamoyl)anilino]-3-oxopropyl]furan-3-carboxamide?
The IUPAC name of N-[3-[3-(butylsulfamoyl)anilino]-3-oxopropyl]furan-3-carboxamide (CID 38748493) is N-[3-[3-(butylsulfamoyl)anilino]-3-oxopropyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-[3-(butylsulfamoyl)anilino]-3-oxopropyl]furan-3-carboxamide?
The canonical SMILES for N-[3-[3-(butylsulfamoyl)anilino]-3-oxopropyl]furan-3-carboxamide is CCCCNS(=O)(=O)c1cccc(NC(=O)CCNC(=O)c2ccoc2)c1.
What is the InChIKey of N-[3-[3-(butylsulfamoyl)anilino]-3-oxopropyl]furan-3-carboxamide?
The InChIKey is OYWKBNFGFSXDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-2-3-9-20-27(24,25)16-6-4-5-15(12-16)21-17(22)7-10-19-18(23)14-8-11-26-13-14/h4-6,8,11-13,20H,2-3,7,9-10H2,1H3,(H,19,23)(H,21,22).
What are the key properties of N-[3-[3-(butylsulfamoyl)anilino]-3-oxopropyl]furan-3-carboxamide?
N-[3-[3-(butylsulfamoyl)anilino]-3-oxopropyl]furan-3-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 2.12, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(butylsulfamoyl)anilino]-3-oxopropyl]furan-3-carboxamide is sourced from PubChem (CID 38748493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).