N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-1-phenylmethanesulfonamide

C26H29N3O5S — CID 45484113

IUPACN-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-1-phenylmethanesulfonamide
SMILESCOc1ccc(CCN2C(=O)N(NS(=O)(=O)Cc3ccccc3)C[C@@H]2c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H29N3O5S/c1-33-23-12-8-20(9-13-23)16-17-28-25(22-10-14-24(34-2)15-11-22)18-29(26(28)30)27-35(31,32)19-21-6-4-3-5-7-21/h3-15,25,27H,16-19H2,1-2H3/t25-/m1/s1
InChIKeyWIWRUENDUNEESK-RUZDIDTESA-N
MW495.60 g/mol
LogP3.76
Rot. Bonds10

About N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-1-phenylmethanesulfonamide

N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-1-phenylmethanesulfonamide (PubChem CID 45484113) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-1-phenylmethanesulfonamide
PubChem CID45484113
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC NameN-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-1-phenylmethanesulfonamide
SMILESCOc1ccc(CCN2C(=O)N(NS(=O)(=O)Cc3ccccc3)C[C@@H]2c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H29N3O5S/c1-33-23-12-8-20(9-13-23)16-17-28-25(22-10-14-24(34-2)15-11-22)18-29(26(28)30)27-35(31,32)19-21-6-4-3-5-7-21/h3-15,25,27H,16-19H2,1-2H3/t25-/m1/s1
InChIKeyWIWRUENDUNEESK-RUZDIDTESA-N
XLogP3.76
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-1-phenylmethanesulfonamide (CID 45484113) is N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-1-phenylmethanesulfonamide is COc1ccc(CCN2C(=O)N(NS(=O)(=O)Cc3ccccc3)C[C@@H]2c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-1-phenylmethanesulfonamide?
The InChIKey is WIWRUENDUNEESK-RUZDIDTESA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-33-23-12-8-20(9-13-23)16-17-28-25(22-10-14-24(34-2)15-11-22)18-29(26(28)30)27-35(31,32)19-21-6-4-3-5-7-21/h3-15,25,27H,16-19H2,1-2H3/t25-/m1/s1.
What are the key properties of N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-1-phenylmethanesulfonamide?
N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-1-phenylmethanesulfonamide has a molecular weight of 495.60 g/mol, XLogP of 3.76, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 45484113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).