N-[3-[2-[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]ethyl]phenyl]-N-methylmethanesulfonamide

C27H30N4O4S — CID 25004310

IUPACN-[3-[2-[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]ethyl]phenyl]-N-methylmethanesulfonamide
SMILESCOc1cccc(-c2cccc(C3(C)N=C(N)N(CCc4cccc(N(C)S(C)(=O)=O)c4)C3=O)c2)c1
InChIInChI=1S/C27H30N4O4S/c1-27(22-11-6-9-20(17-22)21-10-7-13-24(18-21)35-3)25(32)31(26(28)29-27)15-14-19-8-5-12-23(16-19)30(2)36(4,33)34/h5-13,16-18H,14-15H2,1-4H3,(H2,28,29)
InChIKeyVJGSWYCGESLAEM-UHFFFAOYSA-N
MW506.63 g/mol
LogP3.37
Rot. Bonds8

About N-[3-[2-[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]ethyl]phenyl]-N-methylmethanesulfonamide

N-[3-[2-[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]ethyl]phenyl]-N-methylmethanesulfonamide (PubChem CID 25004310) has the molecular formula C27H30N4O4S and a molecular weight of 506.63 g/mol. Its IUPAC name is N-[3-[2-[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]ethyl]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]ethyl]phenyl]-N-methylmethanesulfonamide
PubChem CID25004310
Molecular FormulaC27H30N4O4S
Molecular Weight506.63 g/mol
Exact Mass506.20
IUPAC NameN-[3-[2-[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]ethyl]phenyl]-N-methylmethanesulfonamide
SMILESCOc1cccc(-c2cccc(C3(C)N=C(N)N(CCc4cccc(N(C)S(C)(=O)=O)c4)C3=O)c2)c1
InChIInChI=1S/C27H30N4O4S/c1-27(22-11-6-9-20(17-22)21-10-7-13-24(18-21)35-3)25(32)31(26(28)29-27)15-14-19-8-5-12-23(16-19)30(2)36(4,33)34/h5-13,16-18H,14-15H2,1-4H3,(H2,28,29)
InChIKeyVJGSWYCGESLAEM-UHFFFAOYSA-N
XLogP3.37
TPSA105.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.63
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]ethyl]phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[3-[2-[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]ethyl]phenyl]-N-methylmethanesulfonamide (CID 25004310) is N-[3-[2-[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]ethyl]phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[3-[2-[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]ethyl]phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[3-[2-[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]ethyl]phenyl]-N-methylmethanesulfonamide is COc1cccc(-c2cccc(C3(C)N=C(N)N(CCc4cccc(N(C)S(C)(=O)=O)c4)C3=O)c2)c1.
What is the InChIKey of N-[3-[2-[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]ethyl]phenyl]-N-methylmethanesulfonamide?
The InChIKey is VJGSWYCGESLAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4S/c1-27(22-11-6-9-20(17-22)21-10-7-13-24(18-21)35-3)25(32)31(26(28)29-27)15-14-19-8-5-12-23(16-19)30(2)36(4,33)34/h5-13,16-18H,14-15H2,1-4H3,(H2,28,29).
What are the key properties of N-[3-[2-[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]ethyl]phenyl]-N-methylmethanesulfonamide?
N-[3-[2-[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]ethyl]phenyl]-N-methylmethanesulfonamide has a molecular weight of 506.63 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]ethyl]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 25004310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).