N-[4-[(diethylsulfamoylamino)methyl]phenyl]furan-2-carboxamide

C16H21N3O4S — CID 31112265

IUPACN-[4-[(diethylsulfamoylamino)methyl]phenyl]furan-2-carboxamide
SMILESCCN(CC)S(=O)(=O)NCc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C16H21N3O4S/c1-3-19(4-2)24(21,22)17-12-13-7-9-14(10-8-13)18-16(20)15-6-5-11-23-15/h5-11,17H,3-4,12H2,1-2H3,(H,18,20)
InChIKeySCGYJVADXBFHBB-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.21
Rot. Bonds8

About N-[4-[(diethylsulfamoylamino)methyl]phenyl]furan-2-carboxamide

N-[4-[(diethylsulfamoylamino)methyl]phenyl]furan-2-carboxamide (PubChem CID 31112265) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[4-[(diethylsulfamoylamino)methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(diethylsulfamoylamino)methyl]phenyl]furan-2-carboxamide
PubChem CID31112265
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC NameN-[4-[(diethylsulfamoylamino)methyl]phenyl]furan-2-carboxamide
SMILESCCN(CC)S(=O)(=O)NCc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C16H21N3O4S/c1-3-19(4-2)24(21,22)17-12-13-7-9-14(10-8-13)18-16(20)15-6-5-11-23-15/h5-11,17H,3-4,12H2,1-2H3,(H,18,20)
InChIKeySCGYJVADXBFHBB-UHFFFAOYSA-N
XLogP2.21
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(benzylsulfamoyl)phenyl]furan-2-carboxamide
CID 1315512
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide
CID 25476914
N-[4-[(morpholin-4-ylsulfonylamino)methyl]phenyl]furan-2-carboxamide
CID 55515575
N-[4-[[[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl]furan-2-carboxamide
CID 31112019
ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate
CID 60712061
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
N-[4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide
CID 31112069
N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310940
N-[4-(dimethylsulfamoyl)phenyl]furan-2-carboxamide
CID 2672857
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897

Frequently Asked Questions

What is the IUPAC name of N-[4-[(diethylsulfamoylamino)methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(diethylsulfamoylamino)methyl]phenyl]furan-2-carboxamide (CID 31112265) is N-[4-[(diethylsulfamoylamino)methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(diethylsulfamoylamino)methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(diethylsulfamoylamino)methyl]phenyl]furan-2-carboxamide is CCN(CC)S(=O)(=O)NCc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[(diethylsulfamoylamino)methyl]phenyl]furan-2-carboxamide?
The InChIKey is SCGYJVADXBFHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-3-19(4-2)24(21,22)17-12-13-7-9-14(10-8-13)18-16(20)15-6-5-11-23-15/h5-11,17H,3-4,12H2,1-2H3,(H,18,20).
What are the key properties of N-[4-[(diethylsulfamoylamino)methyl]phenyl]furan-2-carboxamide?
N-[4-[(diethylsulfamoylamino)methyl]phenyl]furan-2-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(diethylsulfamoylamino)methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 31112265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).