N-butyl-5-sulfamoylfuran-2-carboxamide

C9H14N2O4S — CID 47175951

IUPACN-butyl-5-sulfamoylfuran-2-carboxamide
SMILESCCCCNC(=O)c1ccc(S(N)(=O)=O)o1
InChIInChI=1S/C9H14N2O4S/c1-2-3-6-11-9(12)7-4-5-8(15-7)16(10,13)14/h4-5H,2-3,6H2,1H3,(H,11,12)(H2,10,13,14)
InChIKeySVSZHIYLKSDBCS-UHFFFAOYSA-N
MW246.29 g/mol
LogP0.46
Rot. Bonds5

About N-butyl-5-sulfamoylfuran-2-carboxamide

N-butyl-5-sulfamoylfuran-2-carboxamide (PubChem CID 47175951) has the molecular formula C9H14N2O4S and a molecular weight of 246.29 g/mol. Its IUPAC name is N-butyl-5-sulfamoylfuran-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-sulfamoylfuran-2-carboxamide
PubChem CID47175951
Molecular FormulaC9H14N2O4S
Molecular Weight246.29 g/mol
Exact Mass246.07
IUPAC NameN-butyl-5-sulfamoylfuran-2-carboxamide
SMILESCCCCNC(=O)c1ccc(S(N)(=O)=O)o1
InChIInChI=1S/C9H14N2O4S/c1-2-3-6-11-9(12)7-4-5-8(15-7)16(10,13)14/h4-5H,2-3,6H2,1H3,(H,11,12)(H2,10,13,14)
InChIKeySVSZHIYLKSDBCS-UHFFFAOYSA-N
XLogP0.46
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-butyl-5-sulfamoylfuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylpropyl)-5-sulfamoylfuran-2-carboxamide
CID 47318772
N-(1-aminohexan-2-yl)-5-sulfamoylfuran-2-carboxamide;hydrochloride
CID 119665591
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-sulfamoylfuran-2-carboxamide
CID 84575585
N-[2-(cycloheptylamino)ethyl]-5-sulfamoylfuran-2-carboxamide;hydrochloride
CID 119619609
N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylfuran-2-carboxamide
CID 119569299
N-(2-ethylphenyl)-5-sulfamoylfuran-2-carboxamide
CID 47176444
N-ethyl-N-methyl-5-sulfamoylfuran-2-carboxamide
CID 154833223
5-(aminomethyl)-N-octylfuran-2-carboxamide
CID 115567865
N-[[4-(butylcarbamoyl)phenyl]methyl]-5-chlorofuran-2-carboxamide
CID 86986285
[5-(tetradecylcarbamoyl)furan-2-yl] methanesulfonate
CID 175419711
methyl 5-sulfamoylfuran-2-carboxylate
CID 3146896
N-[2-(ethylamino)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 119509422

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-sulfamoylfuran-2-carboxamide?
The IUPAC name of N-butyl-5-sulfamoylfuran-2-carboxamide (CID 47175951) is N-butyl-5-sulfamoylfuran-2-carboxamide.
What is the SMILES notation for N-butyl-5-sulfamoylfuran-2-carboxamide?
The canonical SMILES for N-butyl-5-sulfamoylfuran-2-carboxamide is CCCCNC(=O)c1ccc(S(N)(=O)=O)o1.
What is the InChIKey of N-butyl-5-sulfamoylfuran-2-carboxamide?
The InChIKey is SVSZHIYLKSDBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S/c1-2-3-6-11-9(12)7-4-5-8(15-7)16(10,13)14/h4-5H,2-3,6H2,1H3,(H,11,12)(H2,10,13,14).
What are the key properties of N-butyl-5-sulfamoylfuran-2-carboxamide?
N-butyl-5-sulfamoylfuran-2-carboxamide has a molecular weight of 246.29 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-sulfamoylfuran-2-carboxamide is sourced from PubChem (CID 47175951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).