(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide

C20H26N2O5S — CID 100768119

IUPAC(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
SMILESCOc1ccc(CCNC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H26N2O5S/c1-15(20(23)21-14-13-16-5-9-18(26-3)10-6-16)27-19-11-7-17(8-12-19)22(2)28(4,24)25/h5-12,15H,13-14H2,1-4H3,(H,21,23)/t15-/m1/s1
InChIKeyZNDMNAIISABYFG-OAHLLOKOSA-N
MW406.50 g/mol
LogP2.22
Rot. Bonds9

About (2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide

(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide (PubChem CID 100768119) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is (2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
PubChem CID100768119
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
SMILESCOc1ccc(CCNC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H26N2O5S/c1-15(20(23)21-14-13-16-5-9-18(26-3)10-6-16)27-19-11-7-17(8-12-19)22(2)28(4,24)25/h5-12,15H,13-14H2,1-4H3,(H,21,23)/t15-/m1/s1
InChIKeyZNDMNAIISABYFG-OAHLLOKOSA-N
XLogP2.22
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 100662126
(2R)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100581501
N-[3-(4-methoxyphenyl)propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133187198
N-[3-(2-methoxyphenyl)propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133262053
N-[2-(4-methoxyphenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 24511975
2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2960859
methyl 4-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxybenzoate
CID 24511118
(2R)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100665567
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100665578
(2S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 125058049
N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 56923083
N-[2-(4-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)propanamide
CID 24511404

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The IUPAC name of (2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide (CID 100768119) is (2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide.
What is the SMILES notation for (2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The canonical SMILES for (2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide is COc1ccc(CCNC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1.
What is the InChIKey of (2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The InChIKey is ZNDMNAIISABYFG-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-15(20(23)21-14-13-16-5-9-18(26-3)10-6-16)27-19-11-7-17(8-12-19)22(2)28(4,24)25/h5-12,15H,13-14H2,1-4H3,(H,21,23)/t15-/m1/s1.
What are the key properties of (2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide has a molecular weight of 406.50 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide is sourced from PubChem (CID 100768119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).