N-[[2-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide

C24H32N2O4S — CID 60532191

IUPACN-[[2-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide
SMILESCCN(Cc1ccccc1NS(=O)(=O)c1ccc(OCC2CCCCC2)cc1)C(C)=O
InChIInChI=1S/C24H32N2O4S/c1-3-26(19(2)27)17-21-11-7-8-12-24(21)25-31(28,29)23-15-13-22(14-16-23)30-18-20-9-5-4-6-10-20/h7-8,11-16,20,25H,3-6,9-10,17-18H2,1-2H3
InChIKeyCNQWIMNQUAFOKC-UHFFFAOYSA-N
MW444.60 g/mol
LogP4.81
Rot. Bonds9

About N-[[2-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide

N-[[2-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide (PubChem CID 60532191) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is N-[[2-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[[2-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide
PubChem CID60532191
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC NameN-[[2-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide
SMILESCCN(Cc1ccccc1NS(=O)(=O)c1ccc(OCC2CCCCC2)cc1)C(C)=O
InChIInChI=1S/C24H32N2O4S/c1-3-26(19(2)27)17-21-11-7-8-12-24(21)25-31(28,29)23-15-13-22(14-16-23)30-18-20-9-5-4-6-10-20/h7-8,11-16,20,25H,3-6,9-10,17-18H2,1-2H3
InChIKeyCNQWIMNQUAFOKC-UHFFFAOYSA-N
XLogP4.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide
CID 60532110
methyl 4-[[2-[[acetyl(ethyl)amino]methyl]phenyl]sulfamoyl]benzoate
CID 39869765
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethoxybenzenesulfonamide
CID 36575306
N-ethyl-N-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]methyl]acetamide
CID 39869500
4-cyano-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide
CID 33332114
N-[[2-[(3-chloro-2-fluorophenyl)sulfonylamino]phenyl]methyl]-N-ethylacetamide
CID 60532304
N-ethyl-N-[[2-[(5-fluoro-2-methylphenyl)sulfonylamino]phenyl]methyl]acetamide
CID 47062885
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide
CID 2470223
2-[4-(cyclopentylsulfamoyl)phenoxy]-N,N-diethylacetamide
CID 45374145
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide chloride
CID 53350941
N-cyclopropyl-N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]acetamide
CID 113093946
ethyl 4-[[2-[[acetyl(ethyl)amino]methyl]phenyl]sulfamoyl]-3-bromobenzoate
CID 39869856

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide?
The IUPAC name of N-[[2-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide (CID 60532191) is N-[[2-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide.
What is the SMILES notation for N-[[2-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide?
The canonical SMILES for N-[[2-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide is CCN(Cc1ccccc1NS(=O)(=O)c1ccc(OCC2CCCCC2)cc1)C(C)=O.
What is the InChIKey of N-[[2-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide?
The InChIKey is CNQWIMNQUAFOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-3-26(19(2)27)17-21-11-7-8-12-24(21)25-31(28,29)23-15-13-22(14-16-23)30-18-20-9-5-4-6-10-20/h7-8,11-16,20,25H,3-6,9-10,17-18H2,1-2H3.
What are the key properties of N-[[2-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide?
N-[[2-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide has a molecular weight of 444.60 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide is sourced from PubChem (CID 60532191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).