N-[4-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide

C22H27N3O4S — CID 25018252

IUPACN-[4-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide
SMILESCOc1ccc(CCN2C(=O)N(NS(C)(=O)=O)CC2c2ccc(C3CC3)cc2)cc1
InChIInChI=1S/C22H27N3O4S/c1-29-20-11-3-16(4-12-20)13-14-24-21(15-25(22(24)26)23-30(2,27)28)19-9-7-18(8-10-19)17-5-6-17/h3-4,7-12,17,21,23H,5-6,13-15H2,1-2H3
InChIKeyDGHURJYXAQLSSM-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.06
Rot. Bonds8

About N-[4-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide

N-[4-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide (PubChem CID 25018252) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is N-[4-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide
PubChem CID25018252
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC NameN-[4-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide
SMILESCOc1ccc(CCN2C(=O)N(NS(C)(=O)=O)CC2c2ccc(C3CC3)cc2)cc1
InChIInChI=1S/C22H27N3O4S/c1-29-20-11-3-16(4-12-20)13-14-24-21(15-25(22(24)26)23-30(2,27)28)19-9-7-18(8-10-19)17-5-6-17/h3-4,7-12,17,21,23H,5-6,13-15H2,1-2H3
InChIKeyDGHURJYXAQLSSM-UHFFFAOYSA-N
XLogP3.06
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide?
The IUPAC name of N-[4-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide (CID 25018252) is N-[4-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide.
What is the SMILES notation for N-[4-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide?
The canonical SMILES for N-[4-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide is COc1ccc(CCN2C(=O)N(NS(C)(=O)=O)CC2c2ccc(C3CC3)cc2)cc1.
What is the InChIKey of N-[4-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide?
The InChIKey is DGHURJYXAQLSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-29-20-11-3-16(4-12-20)13-14-24-21(15-25(22(24)26)23-30(2,27)28)19-9-7-18(8-10-19)17-5-6-17/h3-4,7-12,17,21,23H,5-6,13-15H2,1-2H3.
What are the key properties of N-[4-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide?
N-[4-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide has a molecular weight of 429.54 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide is sourced from PubChem (CID 25018252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).