N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-[(4-fluorophenyl)methoxy]-5-iodobenzamide

C29H31FIN3O5S — CID 10372384

IUPACN-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-[(4-fluorophenyl)methoxy]-5-iodobenzamide
SMILESO=C(NC1CCCCC1)NS(=O)(=O)c1ccc(CCNC(=O)c2cc(I)ccc2OCc2ccc(F)cc2)cc1
InChIInChI=1S/C29H31FIN3O5S/c30-22-10-6-21(7-11-22)19-39-27-15-12-23(31)18-26(27)28(35)32-17-16-20-8-13-25(14-9-20)40(37,38)34-29(36)33-24-4-2-1-3-5-24/h6-15,18,24H,1-5,16-17,19H2,(H,32,35)(H2,33,34,36)
InChIKeyZXVHHWUGIFCHTL-UHFFFAOYSA-N
MW679.55 g/mol
LogP5.30
Rot. Bonds10

About N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-[(4-fluorophenyl)methoxy]-5-iodobenzamide

N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-[(4-fluorophenyl)methoxy]-5-iodobenzamide (PubChem CID 10372384) has the molecular formula C29H31FIN3O5S and a molecular weight of 679.55 g/mol. Its IUPAC name is N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-[(4-fluorophenyl)methoxy]-5-iodobenzamide.

Molecular Properties

Compound NameN-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-[(4-fluorophenyl)methoxy]-5-iodobenzamide
PubChem CID10372384
Molecular FormulaC29H31FIN3O5S
Molecular Weight679.55 g/mol
Exact Mass679.10
IUPAC NameN-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-[(4-fluorophenyl)methoxy]-5-iodobenzamide
SMILESO=C(NC1CCCCC1)NS(=O)(=O)c1ccc(CCNC(=O)c2cc(I)ccc2OCc2ccc(F)cc2)cc1
InChIInChI=1S/C29H31FIN3O5S/c30-22-10-6-21(7-11-22)19-39-27-15-12-23(31)18-26(27)28(35)32-17-16-20-8-13-25(14-9-20)40(37,38)34-29(36)33-24-4-2-1-3-5-24/h6-15,18,24H,1-5,16-17,19H2,(H,32,35)(H2,33,34,36)
InChIKeyZXVHHWUGIFCHTL-UHFFFAOYSA-N
XLogP5.30
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.55
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxy-5-methylbenzamide
CID 44567440
cerium;5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide
CID 88767103
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,3,4,5,6-pentafluorobenzamide
CID 10346554
diaminomethylidene-[5-[4-[[4-[2-[(5-iodo-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoylamino]cyclohexyl]oxy-5-oxopentyl]azanium
CID 177366020
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]acetamide
CID 10666666
5-chloro-N-[2-[4-[(4-hydroxycyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-methoxybenzamide
CID 3082214
methyl 5-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethylcarbamoyl]pyrazine-2-carboxylate
CID 59767886
5-chloro-2-methoxy-N-[2-[4-[(3,3,4,5,5-pentadeuterio-4-hydroxycyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide
CID 171391674
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 163449069
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-1-ethyl-2-oxoquinoline-3-carboxamide
CID 13124471
5-chloro-N-[2-[4-[[(1S,3R)-3-hydroxycyclohexyl]carbamoylsulfamoyl]phenyl]ethyl]-2-(trideuterio(113C)methoxy)benzamide
CID 46781811
5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide;3,8,9-trihydroxybenzo[c]chromen-6-one
CID 91754689

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-[(4-fluorophenyl)methoxy]-5-iodobenzamide?
The IUPAC name of N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-[(4-fluorophenyl)methoxy]-5-iodobenzamide (CID 10372384) is N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-[(4-fluorophenyl)methoxy]-5-iodobenzamide.
What is the SMILES notation for N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-[(4-fluorophenyl)methoxy]-5-iodobenzamide?
The canonical SMILES for N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-[(4-fluorophenyl)methoxy]-5-iodobenzamide is O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(CCNC(=O)c2cc(I)ccc2OCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-[(4-fluorophenyl)methoxy]-5-iodobenzamide?
The InChIKey is ZXVHHWUGIFCHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FIN3O5S/c30-22-10-6-21(7-11-22)19-39-27-15-12-23(31)18-26(27)28(35)32-17-16-20-8-13-25(14-9-20)40(37,38)34-29(36)33-24-4-2-1-3-5-24/h6-15,18,24H,1-5,16-17,19H2,(H,32,35)(H2,33,34,36).
What are the key properties of N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-[(4-fluorophenyl)methoxy]-5-iodobenzamide?
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-[(4-fluorophenyl)methoxy]-5-iodobenzamide has a molecular weight of 679.55 g/mol, XLogP of 5.30, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-[(4-fluorophenyl)methoxy]-5-iodobenzamide is sourced from PubChem (CID 10372384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).