4-(4-fluorohexa-1,3,5-trienylsulfonylamino)-N,N-dipropylcyclohexa-1,3-diene-1-carboxamide

C19H27FN2O3S — CID 123652210

IUPAC4-(4-fluorohexa-1,3,5-trienylsulfonylamino)-N,N-dipropylcyclohexa-1,3-diene-1-carboxamide
SMILESC=CC(F)=CC=CS(=O)(=O)NC1=CC=C(C(=O)N(CCC)CCC)CC1
InChIInChI=1S/C19H27FN2O3S/c1-4-13-22(14-5-2)19(23)16-9-11-18(12-10-16)21-26(24,25)15-7-8-17(20)6-3/h6-9,11,15,21H,3-5,10,12-14H2,1-2H3
InChIKeyXOYDSPYPUQIZOR-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.71
Rot. Bonds10

About 4-(4-fluorohexa-1,3,5-trienylsulfonylamino)-N,N-dipropylcyclohexa-1,3-diene-1-carboxamide

4-(4-fluorohexa-1,3,5-trienylsulfonylamino)-N,N-dipropylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 123652210) has the molecular formula C19H27FN2O3S and a molecular weight of 382.50 g/mol. Its IUPAC name is 4-(4-fluorohexa-1,3,5-trienylsulfonylamino)-N,N-dipropylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorohexa-1,3,5-trienylsulfonylamino)-N,N-dipropylcyclohexa-1,3-diene-1-carboxamide
PubChem CID123652210
Molecular FormulaC19H27FN2O3S
Molecular Weight382.50 g/mol
Exact Mass382.17
IUPAC Name4-(4-fluorohexa-1,3,5-trienylsulfonylamino)-N,N-dipropylcyclohexa-1,3-diene-1-carboxamide
SMILESC=CC(F)=CC=CS(=O)(=O)NC1=CC=C(C(=O)N(CCC)CCC)CC1
InChIInChI=1S/C19H27FN2O3S/c1-4-13-22(14-5-2)19(23)16-9-11-18(12-10-16)21-26(24,25)15-7-8-17(20)6-3/h6-9,11,15,21H,3-5,10,12-14H2,1-2H3
InChIKeyXOYDSPYPUQIZOR-UHFFFAOYSA-N
XLogP3.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(tert-butylsulfonylamino)-N-(1,1,1-trifluoroheptan-3-yl)cyclohexa-1,3-diene-1-carboxamide
CID 70892657
4-(tert-butylsulfinylamino)-N-[(3E,5Z)-2-fluorohepta-1,3,5-trien-3-yl]cyclohexa-1,3-diene-1-carboxamide
CID 89153846
4-[[(1E,3E)-4-fluorohexa-1,3,5-trienyl]sulfonylamino]-N,N-dipropylcyclohexa-1,3-diene-1-carboxamide
CID 89738297
N-[5-cyclopropyl-2-methyl-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]cyclobutanesulfonamide
CID 162558024
(4R)-N-propan-2-yl-4-[5-(propan-2-ylsulfonylamino)pentanoylamino]cyclohexa-1,5-diene-1-carboxamide
CID 71040359
N-[(4E)-4-cyanohepta-4,6-dienyl]-4-(propan-2-ylsulfonylamino)cyclohexa-1,3-diene-1-carboxamide
CID 89214886

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorohexa-1,3,5-trienylsulfonylamino)-N,N-dipropylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 4-(4-fluorohexa-1,3,5-trienylsulfonylamino)-N,N-dipropylcyclohexa-1,3-diene-1-carboxamide (CID 123652210) is 4-(4-fluorohexa-1,3,5-trienylsulfonylamino)-N,N-dipropylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 4-(4-fluorohexa-1,3,5-trienylsulfonylamino)-N,N-dipropylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 4-(4-fluorohexa-1,3,5-trienylsulfonylamino)-N,N-dipropylcyclohexa-1,3-diene-1-carboxamide is C=CC(F)=CC=CS(=O)(=O)NC1=CC=C(C(=O)N(CCC)CCC)CC1.
What is the InChIKey of 4-(4-fluorohexa-1,3,5-trienylsulfonylamino)-N,N-dipropylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is XOYDSPYPUQIZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O3S/c1-4-13-22(14-5-2)19(23)16-9-11-18(12-10-16)21-26(24,25)15-7-8-17(20)6-3/h6-9,11,15,21H,3-5,10,12-14H2,1-2H3.
What are the key properties of 4-(4-fluorohexa-1,3,5-trienylsulfonylamino)-N,N-dipropylcyclohexa-1,3-diene-1-carboxamide?
4-(4-fluorohexa-1,3,5-trienylsulfonylamino)-N,N-dipropylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 382.50 g/mol, XLogP of 3.71, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorohexa-1,3,5-trienylsulfonylamino)-N,N-dipropylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 123652210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).