ethyl 3-(4-methylphenyl)sulfonyl-2-phenylimidazolidine-1-carboxylate

C19H22N2O4S — CID 2899848

IUPACethyl 3-(4-methylphenyl)sulfonyl-2-phenylimidazolidine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1c1ccccc1
InChIInChI=1S/C19H22N2O4S/c1-3-25-19(22)20-13-14-21(18(20)16-7-5-4-6-8-16)26(23,24)17-11-9-15(2)10-12-17/h4-12,18H,3,13-14H2,1-2H3
InChIKeyIJYSPXRNZXJBFB-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.16
Rot. Bonds4

About ethyl 3-(4-methylphenyl)sulfonyl-2-phenylimidazolidine-1-carboxylate

ethyl 3-(4-methylphenyl)sulfonyl-2-phenylimidazolidine-1-carboxylate (PubChem CID 2899848) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is ethyl 3-(4-methylphenyl)sulfonyl-2-phenylimidazolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-methylphenyl)sulfonyl-2-phenylimidazolidine-1-carboxylate
PubChem CID2899848
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Nameethyl 3-(4-methylphenyl)sulfonyl-2-phenylimidazolidine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1c1ccccc1
InChIInChI=1S/C19H22N2O4S/c1-3-25-19(22)20-13-14-21(18(20)16-7-5-4-6-8-16)26(23,24)17-11-9-15(2)10-12-17/h4-12,18H,3,13-14H2,1-2H3
InChIKeyIJYSPXRNZXJBFB-UHFFFAOYSA-N
XLogP3.16
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 3-[(4-methylphenyl)sulfonyl]imidazolidine-1-carboxylate
CID 683426
1-[(4-Methylphenyl)sulfonyl]-3-(methylsulfonyl)-2-phenylimidazolidine
CID 3680094
2-Morpholin-4-yl-1-[2-phenyl-3-(toluene-4-sulfonyl)-imidazolidin-1-yl]-ethanone
CID 646974
1,3-Bis-(4-methylphenyl)sulfonyl-2-phenylimidazolidine
CID 2845056
N-benzyl-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 7388109
N-(2-fluorobenzyl)-4-methyl-N-tosylpiperazine-1-carboxamide
CID 7388134
4-methyl-N-(4-methylbenzyl)-N-tosylpiperazine-1-carboxamide
CID 7388118
N-(4-fluorobenzyl)-4-methyl-N-tosylpiperazine-1-carboxamide
CID 7388128
1-Acetyl-2-phenyl-3-(phenylsulfonyl)imidazolidine
CID 2904816
4-{2-Oxo-2-[2-phenyl-3-(phenylsulfonyl)imidazolidin-1-yl]ethyl}morpholine
CID 3235814
ethyl 4-{N-(4-fluorobenzyl)-N-[(4-methylphenyl)sulfonyl]glycyl}piperazine-1-carboxylate
CID 1073054
2-Chloro-1-{3-[(4-methylphenyl)sulfonyl]-2-phenylimidazolidin-1-yl}ethanone
CID 4048689

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methylphenyl)sulfonyl-2-phenylimidazolidine-1-carboxylate?
The IUPAC name of ethyl 3-(4-methylphenyl)sulfonyl-2-phenylimidazolidine-1-carboxylate (CID 2899848) is ethyl 3-(4-methylphenyl)sulfonyl-2-phenylimidazolidine-1-carboxylate.
What is the SMILES notation for ethyl 3-(4-methylphenyl)sulfonyl-2-phenylimidazolidine-1-carboxylate?
The canonical SMILES for ethyl 3-(4-methylphenyl)sulfonyl-2-phenylimidazolidine-1-carboxylate is CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1c1ccccc1.
What is the InChIKey of ethyl 3-(4-methylphenyl)sulfonyl-2-phenylimidazolidine-1-carboxylate?
The InChIKey is IJYSPXRNZXJBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-3-25-19(22)20-13-14-21(18(20)16-7-5-4-6-8-16)26(23,24)17-11-9-15(2)10-12-17/h4-12,18H,3,13-14H2,1-2H3.
What are the key properties of ethyl 3-(4-methylphenyl)sulfonyl-2-phenylimidazolidine-1-carboxylate?
ethyl 3-(4-methylphenyl)sulfonyl-2-phenylimidazolidine-1-carboxylate has a molecular weight of 374.46 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methylphenyl)sulfonyl-2-phenylimidazolidine-1-carboxylate is sourced from PubChem (CID 2899848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).