N-hexan-2-yl-5-methyl-4-sulfamoylfuran-2-carboxamide

C12H20N2O4S — CID 65387104

IUPACN-hexan-2-yl-5-methyl-4-sulfamoylfuran-2-carboxamide
SMILESCCCCC(C)NC(=O)c1cc(S(N)(=O)=O)c(C)o1
InChIInChI=1S/C12H20N2O4S/c1-4-5-6-8(2)14-12(15)10-7-11(9(3)18-10)19(13,16)17/h7-8H,4-6H2,1-3H3,(H,14,15)(H2,13,16,17)
InChIKeyQLCXJOZHNMPBGS-UHFFFAOYSA-N
MW288.37 g/mol
LogP1.54
Rot. Bonds6

About N-hexan-2-yl-5-methyl-4-sulfamoylfuran-2-carboxamide

N-hexan-2-yl-5-methyl-4-sulfamoylfuran-2-carboxamide (PubChem CID 65387104) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-hexan-2-yl-5-methyl-4-sulfamoylfuran-2-carboxamide.

Molecular Properties

Compound NameN-hexan-2-yl-5-methyl-4-sulfamoylfuran-2-carboxamide
PubChem CID65387104
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC NameN-hexan-2-yl-5-methyl-4-sulfamoylfuran-2-carboxamide
SMILESCCCCC(C)NC(=O)c1cc(S(N)(=O)=O)c(C)o1
InChIInChI=1S/C12H20N2O4S/c1-4-5-6-8(2)14-12(15)10-7-11(9(3)18-10)19(13,16)17/h7-8H,4-6H2,1-3H3,(H,14,15)(H2,13,16,17)
InChIKeyQLCXJOZHNMPBGS-UHFFFAOYSA-N
XLogP1.54
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide;hydrochloride
CID 119588835
2-cyclopropyl-2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]acetic acid
CID 119213842
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 119609057
5-methyl-N-[2-(3-methylbutoxy)ethyl]-4-sulfamoylfuran-2-carboxamide
CID 65387670
3-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]butanoic acid
CID 119347905
2-bromo-5-fluoro-N-hexan-2-yl-3-sulfamoylbenzamide
CID 65387490
N-butan-2-yl-N-ethyl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65387385
5-methyl-N-(3-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide
CID 115688805
5-methyl-4-sulfamoyl-N-(5,5,5-trifluoropentyl)furan-2-carboxamide
CID 115491569
N-cyclobutyl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65389029
N-cyclohexyl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65374556
5-(hexan-2-ylcarbamoyl)-2,4-dimethylbenzenesulfonyl chloride
CID 65396813

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-5-methyl-4-sulfamoylfuran-2-carboxamide?
The IUPAC name of N-hexan-2-yl-5-methyl-4-sulfamoylfuran-2-carboxamide (CID 65387104) is N-hexan-2-yl-5-methyl-4-sulfamoylfuran-2-carboxamide.
What is the SMILES notation for N-hexan-2-yl-5-methyl-4-sulfamoylfuran-2-carboxamide?
The canonical SMILES for N-hexan-2-yl-5-methyl-4-sulfamoylfuran-2-carboxamide is CCCCC(C)NC(=O)c1cc(S(N)(=O)=O)c(C)o1.
What is the InChIKey of N-hexan-2-yl-5-methyl-4-sulfamoylfuran-2-carboxamide?
The InChIKey is QLCXJOZHNMPBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-4-5-6-8(2)14-12(15)10-7-11(9(3)18-10)19(13,16)17/h7-8H,4-6H2,1-3H3,(H,14,15)(H2,13,16,17).
What are the key properties of N-hexan-2-yl-5-methyl-4-sulfamoylfuran-2-carboxamide?
N-hexan-2-yl-5-methyl-4-sulfamoylfuran-2-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-5-methyl-4-sulfamoylfuran-2-carboxamide is sourced from PubChem (CID 65387104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).