N-[(4R)-4-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)propyl]-2-oxoimidazolidin-1-yl]methanesulfonamide

C21H27N3O5S — CID 44542340

IUPACN-[(4R)-4-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)propyl]-2-oxoimidazolidin-1-yl]methanesulfonamide
SMILESCOc1ccc(CCCN2C(=O)N(NS(C)(=O)=O)C[C@H]2c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H27N3O5S/c1-28-18-10-6-16(7-11-18)5-4-14-23-20(17-8-12-19(29-2)13-9-17)15-24(21(23)25)22-30(3,26)27/h6-13,20,22H,4-5,14-15H2,1-3H3/t20-/m0/s1
InChIKeyCZGKLRUJJXPRFH-FQEVSTJZSA-N
MW433.53 g/mol
LogP2.58
Rot. Bonds9

About N-[(4R)-4-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)propyl]-2-oxoimidazolidin-1-yl]methanesulfonamide

N-[(4R)-4-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)propyl]-2-oxoimidazolidin-1-yl]methanesulfonamide (PubChem CID 44542340) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[(4R)-4-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)propyl]-2-oxoimidazolidin-1-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4R)-4-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)propyl]-2-oxoimidazolidin-1-yl]methanesulfonamide
PubChem CID44542340
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC NameN-[(4R)-4-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)propyl]-2-oxoimidazolidin-1-yl]methanesulfonamide
SMILESCOc1ccc(CCCN2C(=O)N(NS(C)(=O)=O)C[C@H]2c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H27N3O5S/c1-28-18-10-6-16(7-11-18)5-4-14-23-20(17-8-12-19(29-2)13-9-17)15-24(21(23)25)22-30(3,26)27/h6-13,20,22H,4-5,14-15H2,1-3H3/t20-/m0/s1
InChIKeyCZGKLRUJJXPRFH-FQEVSTJZSA-N
XLogP2.58
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)propyl]-2-oxoimidazolidin-1-yl]methanesulfonamide?
The IUPAC name of N-[(4R)-4-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)propyl]-2-oxoimidazolidin-1-yl]methanesulfonamide (CID 44542340) is N-[(4R)-4-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)propyl]-2-oxoimidazolidin-1-yl]methanesulfonamide.
What is the SMILES notation for N-[(4R)-4-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)propyl]-2-oxoimidazolidin-1-yl]methanesulfonamide?
The canonical SMILES for N-[(4R)-4-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)propyl]-2-oxoimidazolidin-1-yl]methanesulfonamide is COc1ccc(CCCN2C(=O)N(NS(C)(=O)=O)C[C@H]2c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[(4R)-4-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)propyl]-2-oxoimidazolidin-1-yl]methanesulfonamide?
The InChIKey is CZGKLRUJJXPRFH-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-28-18-10-6-16(7-11-18)5-4-14-23-20(17-8-12-19(29-2)13-9-17)15-24(21(23)25)22-30(3,26)27/h6-13,20,22H,4-5,14-15H2,1-3H3/t20-/m0/s1.
What are the key properties of N-[(4R)-4-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)propyl]-2-oxoimidazolidin-1-yl]methanesulfonamide?
N-[(4R)-4-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)propyl]-2-oxoimidazolidin-1-yl]methanesulfonamide has a molecular weight of 433.53 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-4-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)propyl]-2-oxoimidazolidin-1-yl]methanesulfonamide is sourced from PubChem (CID 44542340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).