N-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]methanesulfonamide

C22H29N3O5S — CID 25017750

IUPACN-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]methanesulfonamide
SMILESCOc1ccc(CCN2C(=O)N(NS(C)(=O)=O)CC2c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C22H29N3O5S/c1-16(2)30-20-11-7-18(8-12-20)21-15-25(23-31(4,27)28)22(26)24(21)14-13-17-5-9-19(29-3)10-6-17/h5-12,16,21,23H,13-15H2,1-4H3
InChIKeyPQGSNDQPFAIROH-UHFFFAOYSA-N
MW447.56 g/mol
LogP2.97
Rot. Bonds9

About N-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]methanesulfonamide

N-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]methanesulfonamide (PubChem CID 25017750) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]methanesulfonamide
PubChem CID25017750
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC NameN-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]methanesulfonamide
SMILESCOc1ccc(CCN2C(=O)N(NS(C)(=O)=O)CC2c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C22H29N3O5S/c1-16(2)30-20-11-7-18(8-12-20)21-15-25(23-31(4,27)28)22(26)24(21)14-13-17-5-9-19(29-3)10-6-17/h5-12,16,21,23H,13-15H2,1-4H3
InChIKeyPQGSNDQPFAIROH-UHFFFAOYSA-N
XLogP2.97
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]methanesulfonamide?
The IUPAC name of N-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]methanesulfonamide (CID 25017750) is N-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]methanesulfonamide?
The canonical SMILES for N-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]methanesulfonamide is COc1ccc(CCN2C(=O)N(NS(C)(=O)=O)CC2c2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of N-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]methanesulfonamide?
The InChIKey is PQGSNDQPFAIROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-16(2)30-20-11-7-18(8-12-20)21-15-25(23-31(4,27)28)22(26)24(21)14-13-17-5-9-19(29-3)10-6-17/h5-12,16,21,23H,13-15H2,1-4H3.
What are the key properties of N-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]methanesulfonamide?
N-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]methanesulfonamide has a molecular weight of 447.56 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]methanesulfonamide is sourced from PubChem (CID 25017750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).