N-[2-[(2-methyl-5-sulfamoylbenzoyl)amino]ethyl]furan-2-carboxamide

C15H17N3O5S — CID 30797230

IUPACN-[2-[(2-methyl-5-sulfamoylbenzoyl)amino]ethyl]furan-2-carboxamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)NCCNC(=O)c1ccco1
InChIInChI=1S/C15H17N3O5S/c1-10-4-5-11(24(16,21)22)9-12(10)14(19)17-6-7-18-15(20)13-3-2-8-23-13/h2-5,8-9H,6-7H2,1H3,(H,17,19)(H,18,20)(H2,16,21,22)
InChIKeyZBGKHBWBIURMSI-UHFFFAOYSA-N
MW351.38 g/mol
LogP0.40
Rot. Bonds6

About N-[2-[(2-methyl-5-sulfamoylbenzoyl)amino]ethyl]furan-2-carboxamide

N-[2-[(2-methyl-5-sulfamoylbenzoyl)amino]ethyl]furan-2-carboxamide (PubChem CID 30797230) has the molecular formula C15H17N3O5S and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[2-[(2-methyl-5-sulfamoylbenzoyl)amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-methyl-5-sulfamoylbenzoyl)amino]ethyl]furan-2-carboxamide
PubChem CID30797230
Molecular FormulaC15H17N3O5S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC NameN-[2-[(2-methyl-5-sulfamoylbenzoyl)amino]ethyl]furan-2-carboxamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)NCCNC(=O)c1ccco1
InChIInChI=1S/C15H17N3O5S/c1-10-4-5-11(24(16,21)22)9-12(10)14(19)17-6-7-18-15(20)13-3-2-8-23-13/h2-5,8-9H,6-7H2,1H3,(H,17,19)(H,18,20)(H2,16,21,22)
InChIKeyZBGKHBWBIURMSI-UHFFFAOYSA-N
XLogP0.40
TPSA131.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 50.40
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-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide
CID 24539616
N-(2-benzamidoethyl)-2-methyl-5-sulfamoylbenzamide
CID 38196154
N-[2-[4-sulfamoyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide
CID 133290817
N-[2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]ethyl]furan-2-carboxamide
CID 34446965
N-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]furan-2-carboxamide
CID 9141000
N-[2-(furan-2-carbonylamino)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 30797202
N-(2,2-difluoroethyl)-2-methyl-5-sulfamoylbenzamide
CID 79079912
N-[4-oxo-4-[(3-sulfamoylphenyl)methylamino]butyl]furan-2-carboxamide
CID 32563567
N-(2-bromoprop-2-enyl)-2-methyl-5-sulfamoylbenzamide
CID 47441864
2-methyl-5-sulfamoyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 24672657
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-sulfamoylbenzamide
CID 31550186
2-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 62692492

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyl-5-sulfamoylbenzoyl)amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(2-methyl-5-sulfamoylbenzoyl)amino]ethyl]furan-2-carboxamide (CID 30797230) is N-[2-[(2-methyl-5-sulfamoylbenzoyl)amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(2-methyl-5-sulfamoylbenzoyl)amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(2-methyl-5-sulfamoylbenzoyl)amino]ethyl]furan-2-carboxamide is Cc1ccc(S(N)(=O)=O)cc1C(=O)NCCNC(=O)c1ccco1.
What is the InChIKey of N-[2-[(2-methyl-5-sulfamoylbenzoyl)amino]ethyl]furan-2-carboxamide?
The InChIKey is ZBGKHBWBIURMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S/c1-10-4-5-11(24(16,21)22)9-12(10)14(19)17-6-7-18-15(20)13-3-2-8-23-13/h2-5,8-9H,6-7H2,1H3,(H,17,19)(H,18,20)(H2,16,21,22).
What are the key properties of N-[2-[(2-methyl-5-sulfamoylbenzoyl)amino]ethyl]furan-2-carboxamide?
N-[2-[(2-methyl-5-sulfamoylbenzoyl)amino]ethyl]furan-2-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyl-5-sulfamoylbenzoyl)amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 30797230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).