N-[2-[4-[2-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide

C24H33ClN2O5S — CID 70884476

IUPACN-[2-[4-[2-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide
SMILESCCS(=O)(=O)NC(C(=O)NCCc1ccc(OCCc2ccc(Cl)cc2)c(OC)c1)C(C)C
InChIInChI=1S/C24H33ClN2O5S/c1-5-33(29,30)27-23(17(2)3)24(28)26-14-12-19-8-11-21(22(16-19)31-4)32-15-13-18-6-9-20(25)10-7-18/h6-11,16-17,23,27H,5,12-15H2,1-4H3,(H,26,28)
InChIKeyMNUZYCXOIVMDDP-UHFFFAOYSA-N
MW497.06 g/mol
LogP3.59
Rot. Bonds13

About N-[2-[4-[2-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide

N-[2-[4-[2-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide (PubChem CID 70884476) has the molecular formula C24H33ClN2O5S and a molecular weight of 497.06 g/mol. Its IUPAC name is N-[2-[4-[2-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-[4-[2-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide
PubChem CID70884476
Molecular FormulaC24H33ClN2O5S
Molecular Weight497.06 g/mol
Exact Mass496.18
IUPAC NameN-[2-[4-[2-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide
SMILESCCS(=O)(=O)NC(C(=O)NCCc1ccc(OCCc2ccc(Cl)cc2)c(OC)c1)C(C)C
InChIInChI=1S/C24H33ClN2O5S/c1-5-33(29,30)27-23(17(2)3)24(28)26-14-12-19-8-11-21(22(16-19)31-4)32-15-13-18-6-9-20(25)10-7-18/h6-11,16-17,23,27H,5,12-15H2,1-4H3,(H,26,28)
InChIKeyMNUZYCXOIVMDDP-UHFFFAOYSA-N
XLogP3.59
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.06
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (E)-4-[4-[2-[[(2S)-2-(ethylsulfonylamino)-3-methylbutanoyl]amino]ethyl]-2-methoxyphenoxy]but-2-enoate
CID 70222706
(2S)-2-amino-N-[2-[4-[3-(4-chlorophenyl)propoxy]-3-methoxyphenyl]ethyl]-3-methylbutanamide
CID 54099212
2-(ethylsulfonylamino)-N-[2-[3-methoxy-4-(3-thiophen-2-ylprop-2-ynoxy)phenyl]ethyl]-3-methylbutanamide
CID 22898924
N-[2-[3-[2-(4-chlorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide
CID 57281523
(2R)-2-(4-chlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 51532938
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide
CID 110298822
N-[2-[4-[3-(4-chlorophenyl)prop-2-ynoxy]-3-methoxyphenyl]ethyl]-2-ethylsulfonyl-3-methylbutanamide
CID 141470644
[[(2S)-1-[2-[4-[3-(4-chlorophenyl)prop-2-ynoxy]-3-methoxyphenyl]ethylamino]-3-methyl-1-oxobutan-2-yl]amino]methanesulfinic acid
CID 155012490
(2R)-2-(2,4-dichlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 2164093
(2S)-4-(4-chlorophenyl)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide
CID 142673521
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108891954

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide?
The IUPAC name of N-[2-[4-[2-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide (CID 70884476) is N-[2-[4-[2-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide.
What is the SMILES notation for N-[2-[4-[2-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide?
The canonical SMILES for N-[2-[4-[2-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide is CCS(=O)(=O)NC(C(=O)NCCc1ccc(OCCc2ccc(Cl)cc2)c(OC)c1)C(C)C.
What is the InChIKey of N-[2-[4-[2-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide?
The InChIKey is MNUZYCXOIVMDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN2O5S/c1-5-33(29,30)27-23(17(2)3)24(28)26-14-12-19-8-11-21(22(16-19)31-4)32-15-13-18-6-9-20(25)10-7-18/h6-11,16-17,23,27H,5,12-15H2,1-4H3,(H,26,28).
What are the key properties of N-[2-[4-[2-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide?
N-[2-[4-[2-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide has a molecular weight of 497.06 g/mol, XLogP of 3.59, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide is sourced from PubChem (CID 70884476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).