N-[2-[4-[6-chloro-2-(4-methoxy-N-methylanilino)pyrimidin-4-yl]oxyphenyl]ethyl]methanesulfonamide

C21H23ClN4O4S — CID 146540600

IUPACN-[2-[4-[6-chloro-2-(4-methoxy-N-methylanilino)pyrimidin-4-yl]oxyphenyl]ethyl]methanesulfonamide
SMILESCOc1ccc(N(C)c2nc(Cl)cc(Oc3ccc(CCNS(C)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C21H23ClN4O4S/c1-26(16-6-10-17(29-2)11-7-16)21-24-19(22)14-20(25-21)30-18-8-4-15(5-9-18)12-13-23-31(3,27)28/h4-11,14,23H,12-13H2,1-3H3
InChIKeyCIWAPNKMPDHYJG-UHFFFAOYSA-N
MW462.96 g/mol
LogP3.79
Rot. Bonds9

About N-[2-[4-[6-chloro-2-(4-methoxy-N-methylanilino)pyrimidin-4-yl]oxyphenyl]ethyl]methanesulfonamide

N-[2-[4-[6-chloro-2-(4-methoxy-N-methylanilino)pyrimidin-4-yl]oxyphenyl]ethyl]methanesulfonamide (PubChem CID 146540600) has the molecular formula C21H23ClN4O4S and a molecular weight of 462.96 g/mol. Its IUPAC name is N-[2-[4-[6-chloro-2-(4-methoxy-N-methylanilino)pyrimidin-4-yl]oxyphenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[6-chloro-2-(4-methoxy-N-methylanilino)pyrimidin-4-yl]oxyphenyl]ethyl]methanesulfonamide
PubChem CID146540600
Molecular FormulaC21H23ClN4O4S
Molecular Weight462.96 g/mol
Exact Mass462.11
IUPAC NameN-[2-[4-[6-chloro-2-(4-methoxy-N-methylanilino)pyrimidin-4-yl]oxyphenyl]ethyl]methanesulfonamide
SMILESCOc1ccc(N(C)c2nc(Cl)cc(Oc3ccc(CCNS(C)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C21H23ClN4O4S/c1-26(16-6-10-17(29-2)11-7-16)21-24-19(22)14-20(25-21)30-18-8-4-15(5-9-18)12-13-23-31(3,27)28/h4-11,14,23H,12-13H2,1-3H3
InChIKeyCIWAPNKMPDHYJG-UHFFFAOYSA-N
XLogP3.79
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.96
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[4-[6-chloro-2-(4-methoxy-N-methylanilino)pyrimidin-4-yl]oxyphenyl]ethyl]methanesulfonamide with MolForge

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Related Compounds

N-[2-[4-[6-cyano-2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]ethyl]methanesulfonamide
CID 134586759
N-[2-(4-methoxy-N-methylanilino)ethyl]methanesulfonamide
CID 56919929
N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanesulfonamide
CID 118097381
3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 1254752
2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid
CID 43352053
1-[4-(dimethylsulfamoylamino)butyl]-4-methoxybenzene
CID 110288832
N-ethyl-5-[4-[2-(methanesulfonamido)ethyl]phenyl]-1-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide
CID 58806813
2-(4-chloro-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 4214527
N-[3-[4-(dimethylamino)phenyl]propyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 16890891
4-(2-bromoethyl)-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 110316621
4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 55915922
N-[2-(4-propylphenyl)ethyl]methanesulfonamide
CID 110787811

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[6-chloro-2-(4-methoxy-N-methylanilino)pyrimidin-4-yl]oxyphenyl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[4-[6-chloro-2-(4-methoxy-N-methylanilino)pyrimidin-4-yl]oxyphenyl]ethyl]methanesulfonamide (CID 146540600) is N-[2-[4-[6-chloro-2-(4-methoxy-N-methylanilino)pyrimidin-4-yl]oxyphenyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-[6-chloro-2-(4-methoxy-N-methylanilino)pyrimidin-4-yl]oxyphenyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-[6-chloro-2-(4-methoxy-N-methylanilino)pyrimidin-4-yl]oxyphenyl]ethyl]methanesulfonamide is COc1ccc(N(C)c2nc(Cl)cc(Oc3ccc(CCNS(C)(=O)=O)cc3)n2)cc1.
What is the InChIKey of N-[2-[4-[6-chloro-2-(4-methoxy-N-methylanilino)pyrimidin-4-yl]oxyphenyl]ethyl]methanesulfonamide?
The InChIKey is CIWAPNKMPDHYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O4S/c1-26(16-6-10-17(29-2)11-7-16)21-24-19(22)14-20(25-21)30-18-8-4-15(5-9-18)12-13-23-31(3,27)28/h4-11,14,23H,12-13H2,1-3H3.
What are the key properties of N-[2-[4-[6-chloro-2-(4-methoxy-N-methylanilino)pyrimidin-4-yl]oxyphenyl]ethyl]methanesulfonamide?
N-[2-[4-[6-chloro-2-(4-methoxy-N-methylanilino)pyrimidin-4-yl]oxyphenyl]ethyl]methanesulfonamide has a molecular weight of 462.96 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[6-chloro-2-(4-methoxy-N-methylanilino)pyrimidin-4-yl]oxyphenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 146540600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).