N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]furan-3-carboxamide

C14H23N3O4S — CID 47071893

IUPACN-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]furan-3-carboxamide
SMILESCN(C1CCCCC1)S(=O)(=O)NCCNC(=O)c1ccoc1
InChIInChI=1S/C14H23N3O4S/c1-17(13-5-3-2-4-6-13)22(19,20)16-9-8-15-14(18)12-7-10-21-11-12/h7,10-11,13,16H,2-6,8-9H2,1H3,(H,15,18)
InChIKeyLQEFIKXAPHOLEG-UHFFFAOYSA-N
MW329.42 g/mol
LogP1.11
Rot. Bonds7

About N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]furan-3-carboxamide

N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]furan-3-carboxamide (PubChem CID 47071893) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]furan-3-carboxamide
PubChem CID47071893
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC NameN-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]furan-3-carboxamide
SMILESCN(C1CCCCC1)S(=O)(=O)NCCNC(=O)c1ccoc1
InChIInChI=1S/C14H23N3O4S/c1-17(13-5-3-2-4-6-13)22(19,20)16-9-8-15-14(18)12-7-10-21-11-12/h7,10-11,13,16H,2-6,8-9H2,1H3,(H,15,18)
InChIKeyLQEFIKXAPHOLEG-UHFFFAOYSA-N
XLogP1.11
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]furan-3-carboxamide?
The IUPAC name of N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]furan-3-carboxamide (CID 47071893) is N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]furan-3-carboxamide is CN(C1CCCCC1)S(=O)(=O)NCCNC(=O)c1ccoc1.
What is the InChIKey of N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]furan-3-carboxamide?
The InChIKey is LQEFIKXAPHOLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-17(13-5-3-2-4-6-13)22(19,20)16-9-8-15-14(18)12-7-10-21-11-12/h7,10-11,13,16H,2-6,8-9H2,1H3,(H,15,18).
What are the key properties of N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]furan-3-carboxamide?
N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]furan-3-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]furan-3-carboxamide is sourced from PubChem (CID 47071893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).