N-[[3-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide

C24H32N2O4S — CID 60532110

IUPACN-[[3-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide
SMILESCCN(Cc1cccc(NS(=O)(=O)c2ccc(OCC3CCCCC3)cc2)c1)C(C)=O
InChIInChI=1S/C24H32N2O4S/c1-3-26(19(2)27)17-21-10-7-11-22(16-21)25-31(28,29)24-14-12-23(13-15-24)30-18-20-8-5-4-6-9-20/h7,10-16,20,25H,3-6,8-9,17-18H2,1-2H3
InChIKeyCGSSFPJIEQVHTR-UHFFFAOYSA-N
MW444.60 g/mol
LogP4.81
Rot. Bonds9

About N-[[3-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide

N-[[3-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide (PubChem CID 60532110) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is N-[[3-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[[3-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide
PubChem CID60532110
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC NameN-[[3-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide
SMILESCCN(Cc1cccc(NS(=O)(=O)c2ccc(OCC3CCCCC3)cc2)c1)C(C)=O
InChIInChI=1S/C24H32N2O4S/c1-3-26(19(2)27)17-21-10-7-11-22(16-21)25-31(28,29)24-14-12-23(13-15-24)30-18-20-8-5-4-6-9-20/h7,10-16,20,25H,3-6,8-9,17-18H2,1-2H3
InChIKeyCGSSFPJIEQVHTR-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-[[2-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide
CID 60532191
N-[[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]methyl]-N-ethylacetamide
CID 56582632
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 34338889
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-ethoxyphenyl)acetamide
CID 38811561
3-[3-[(4-ethoxyphenyl)sulfonylamino]phenyl]propyl acetate
CID 75524807
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-pentoxybenzamide
CID 38810181
N-[3-[(4-ethoxyphenoxy)methyl]phenyl]-4-methylbenzenesulfonamide
CID 169372191
2-[4-(cyclopentylsulfamoyl)phenoxy]-N,N-diethylacetamide
CID 45374145
N,N-diethyl-4-[(3-fluorophenyl)sulfamoyl]benzamide
CID 47946318
N-[3-(azepane-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 7398605
4-[[3-(phenoxymethyl)phenyl]sulfamoyl]benzoic acid
CID 154858217
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24655921

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide?
The IUPAC name of N-[[3-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide (CID 60532110) is N-[[3-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide.
What is the SMILES notation for N-[[3-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide?
The canonical SMILES for N-[[3-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide is CCN(Cc1cccc(NS(=O)(=O)c2ccc(OCC3CCCCC3)cc2)c1)C(C)=O.
What is the InChIKey of N-[[3-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide?
The InChIKey is CGSSFPJIEQVHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-3-26(19(2)27)17-21-10-7-11-22(16-21)25-31(28,29)24-14-12-23(13-15-24)30-18-20-8-5-4-6-9-20/h7,10-16,20,25H,3-6,8-9,17-18H2,1-2H3.
What are the key properties of N-[[3-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide?
N-[[3-[[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-[[3-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide is sourced from PubChem (CID 60532110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).