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

C24H31N3O5S — CID 44567440

IUPACN-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C24H31N3O5S/c1-17-8-13-22(32-2)21(16-17)23(28)25-15-14-18-9-11-20(12-10-18)33(30,31)27-24(29)26-19-6-4-3-5-7-19/h8-13,16,19H,3-7,14-15H2,1-2H3,(H,25,28)(H2,26,27,29)
InChIKeyKTQTWSGFFVJHPP-UHFFFAOYSA-N
MW473.60 g/mol
LogP3.30
Rot. Bonds8

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

N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxy-5-methylbenzamide (PubChem CID 44567440) has the molecular formula C24H31N3O5S and a molecular weight of 473.60 g/mol. Its IUPAC name is N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxy-5-methylbenzamide
PubChem CID44567440
Molecular FormulaC24H31N3O5S
Molecular Weight473.60 g/mol
Exact Mass473.20
IUPAC NameN-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C24H31N3O5S/c1-17-8-13-22(32-2)21(16-17)23(28)25-15-14-18-9-11-20(12-10-18)33(30,31)27-24(29)26-19-6-4-3-5-7-19/h8-13,16,19H,3-7,14-15H2,1-2H3,(H,25,28)(H2,26,27,29)
InChIKeyKTQTWSGFFVJHPP-UHFFFAOYSA-N
XLogP3.30
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

cerium;5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide
CID 88767103
5-chloro-N-[2-[4-[(4-hydroxycyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-methoxybenzamide
CID 3082214
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 163449069
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-[(4-fluorophenyl)methoxy]-5-iodobenzamide
CID 10372384
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]acetamide
CID 10666666
methyl 5-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethylcarbamoyl]pyrazine-2-carboxylate
CID 59767886
5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide;3,8,9-trihydroxybenzo[c]chromen-6-one
CID 91754689
5-chloro-N-[2-[4-[[(1S,3R)-3-hydroxycyclohexyl]carbamoylsulfamoyl]phenyl]ethyl]-2-(trideuterio(113C)methoxy)benzamide
CID 46781811
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,3,4,5,6-pentafluorobenzamide
CID 10346554
5-chloro-N-[2-[4-[(1,3,3,4,4,5,5-heptadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-methoxybenzamide;5-chloro-2-methoxy-N-[2-[4-[(1,2,2,6,6-pentadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide
CID 159796325
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-1-ethyl-2-oxoquinoline-3-carboxamide
CID 13124471

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxy-5-methylbenzamide?
The IUPAC name of N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxy-5-methylbenzamide (CID 44567440) is N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxy-5-methylbenzamide is COc1ccc(C)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxy-5-methylbenzamide?
The InChIKey is KTQTWSGFFVJHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5S/c1-17-8-13-22(32-2)21(16-17)23(28)25-15-14-18-9-11-20(12-10-18)33(30,31)27-24(29)26-19-6-4-3-5-7-19/h8-13,16,19H,3-7,14-15H2,1-2H3,(H,25,28)(H2,26,27,29).
What are the key properties of N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxy-5-methylbenzamide?
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxy-5-methylbenzamide has a molecular weight of 473.60 g/mol, XLogP of 3.30, 8 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-methoxy-5-methylbenzamide is sourced from PubChem (CID 44567440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).