N-(3-cyclohexylpropyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide

C18H26F2N2O3S — CID 46433666

IUPACN-(3-cyclohexylpropyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCCCC1CCCCC1
InChIInChI=1S/C18H26F2N2O3S/c19-16-9-8-15(13-17(16)20)26(24,25)22-12-10-18(23)21-11-4-7-14-5-2-1-3-6-14/h8-9,13-14,22H,1-7,10-12H2,(H,21,23)
InChIKeyXTXMCIPBCZXSDO-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.11
Rot. Bonds9

About N-(3-cyclohexylpropyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide

N-(3-cyclohexylpropyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide (PubChem CID 46433666) has the molecular formula C18H26F2N2O3S and a molecular weight of 388.48 g/mol. Its IUPAC name is N-(3-cyclohexylpropyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-cyclohexylpropyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
PubChem CID46433666
Molecular FormulaC18H26F2N2O3S
Molecular Weight388.48 g/mol
Exact Mass388.16
IUPAC NameN-(3-cyclohexylpropyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCCCC1CCCCC1
InChIInChI=1S/C18H26F2N2O3S/c19-16-9-8-15(13-17(16)20)26(24,25)22-12-10-18(23)21-11-4-7-14-5-2-1-3-6-14/h8-9,13-14,22H,1-7,10-12H2,(H,21,23)
InChIKeyXTXMCIPBCZXSDO-UHFFFAOYSA-N
XLogP3.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-bromophenyl)sulfonylamino]-N-(3-cyclopentylpropyl)propanamide
CID 55585732
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
3-cyclohexyl-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide
CID 108573891
3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
N-[2-(cyclohexen-1-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 29261799
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-[di(propan-2-yl)amino]ethyl]propanamide
CID 55376345
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 24547426
3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448
4-amino-N-(2-cyclohexylethyl)-3-fluorobenzenesulfonamide
CID 82843865
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide
CID 24549470
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide
CID 32934295
3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 25403138

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylpropyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-(3-cyclohexylpropyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide (CID 46433666) is N-(3-cyclohexylpropyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(3-cyclohexylpropyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(3-cyclohexylpropyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide is O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCCCC1CCCCC1.
What is the InChIKey of N-(3-cyclohexylpropyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide?
The InChIKey is XTXMCIPBCZXSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O3S/c19-16-9-8-15(13-17(16)20)26(24,25)22-12-10-18(23)21-11-4-7-14-5-2-1-3-6-14/h8-9,13-14,22H,1-7,10-12H2,(H,21,23).
What are the key properties of N-(3-cyclohexylpropyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide?
N-(3-cyclohexylpropyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide has a molecular weight of 388.48 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylpropyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 46433666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).