N-[4-oxo-4-[(3-sulfamoylphenyl)methylamino]butyl]furan-2-carboxamide

C16H19N3O5S — CID 32563567

IUPACN-[4-oxo-4-[(3-sulfamoylphenyl)methylamino]butyl]furan-2-carboxamide
SMILESNS(=O)(=O)c1cccc(CNC(=O)CCCNC(=O)c2ccco2)c1
InChIInChI=1S/C16H19N3O5S/c17-25(22,23)13-5-1-4-12(10-13)11-19-15(20)7-2-8-18-16(21)14-6-3-9-24-14/h1,3-6,9-10H,2,7-8,11H2,(H,18,21)(H,19,20)(H2,17,22,23)
InChIKeyWBLVTTSKOAXUKY-UHFFFAOYSA-N
MW365.41 g/mol
LogP0.75
Rot. Bonds8

About N-[4-oxo-4-[(3-sulfamoylphenyl)methylamino]butyl]furan-2-carboxamide

N-[4-oxo-4-[(3-sulfamoylphenyl)methylamino]butyl]furan-2-carboxamide (PubChem CID 32563567) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[4-oxo-4-[(3-sulfamoylphenyl)methylamino]butyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-oxo-4-[(3-sulfamoylphenyl)methylamino]butyl]furan-2-carboxamide
PubChem CID32563567
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC NameN-[4-oxo-4-[(3-sulfamoylphenyl)methylamino]butyl]furan-2-carboxamide
SMILESNS(=O)(=O)c1cccc(CNC(=O)CCCNC(=O)c2ccco2)c1
InChIInChI=1S/C16H19N3O5S/c17-25(22,23)13-5-1-4-12(10-13)11-19-15(20)7-2-8-18-16(21)14-6-3-9-24-14/h1,3-6,9-10H,2,7-8,11H2,(H,18,21)(H,19,20)(H2,17,22,23)
InChIKeyWBLVTTSKOAXUKY-UHFFFAOYSA-N
XLogP0.75
TPSA131.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 50.75
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

4-hydroxy-N-[(3-sulfamoylphenyl)methyl]butanamide
CID 79192761
N-[4-oxo-4-[(3-phenylmethoxyphenyl)methylamino]butyl]furan-2-carboxamide
CID 55845508
N-[4-oxo-4-(pyridin-3-ylmethylamino)butyl]furan-2-carboxamide
CID 35511874
5-(4-bromophenyl)-N-[(3-sulfamoylphenyl)methyl]pentanamide
CID 55852739
N-[2-[(2-methyl-5-sulfamoylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 30797230
N-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 106164627
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[4-[(4-butoxy-3-methoxyphenyl)methylamino]-4-oxobutyl]furan-2-carboxamide
CID 39971238
N-[4-[[2-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]furan-2-carboxamide
CID 32603356
2-methoxy-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 32567500
2-(4-bromo-2-hydroxyphenyl)-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 166221897
(2S)-3-[4-(furan-2-carbonylamino)butanoylamino]-2-hydroxypropanoic acid
CID 107833216

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-[(3-sulfamoylphenyl)methylamino]butyl]furan-2-carboxamide?
The IUPAC name of N-[4-oxo-4-[(3-sulfamoylphenyl)methylamino]butyl]furan-2-carboxamide (CID 32563567) is N-[4-oxo-4-[(3-sulfamoylphenyl)methylamino]butyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-oxo-4-[(3-sulfamoylphenyl)methylamino]butyl]furan-2-carboxamide?
The canonical SMILES for N-[4-oxo-4-[(3-sulfamoylphenyl)methylamino]butyl]furan-2-carboxamide is NS(=O)(=O)c1cccc(CNC(=O)CCCNC(=O)c2ccco2)c1.
What is the InChIKey of N-[4-oxo-4-[(3-sulfamoylphenyl)methylamino]butyl]furan-2-carboxamide?
The InChIKey is WBLVTTSKOAXUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S/c17-25(22,23)13-5-1-4-12(10-13)11-19-15(20)7-2-8-18-16(21)14-6-3-9-24-14/h1,3-6,9-10H,2,7-8,11H2,(H,18,21)(H,19,20)(H2,17,22,23).
What are the key properties of N-[4-oxo-4-[(3-sulfamoylphenyl)methylamino]butyl]furan-2-carboxamide?
N-[4-oxo-4-[(3-sulfamoylphenyl)methylamino]butyl]furan-2-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 0.75, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-[(3-sulfamoylphenyl)methylamino]butyl]furan-2-carboxamide is sourced from PubChem (CID 32563567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).