3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide

C17H27N3O4S — CID 6498844

IUPAC3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CC(C)N(C(=O)N(C)C)C2C(C)C)cc1
InChIInChI=1S/C17H27N3O4S/c1-12(2)16-19(11-13(3)20(16)17(21)18(4)5)25(22,23)15-9-7-14(24-6)8-10-15/h7-10,12-13,16H,11H2,1-6H3
InChIKeyYHGMKICHGBYMLR-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.05
Rot. Bonds4

About 3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide

3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide (PubChem CID 6498844) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide
PubChem CID6498844
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CC(C)N(C(=O)N(C)C)C2C(C)C)cc1
InChIInChI=1S/C17H27N3O4S/c1-12(2)16-19(11-13(3)20(16)17(21)18(4)5)25(22,23)15-9-7-14(24-6)8-10-15/h7-10,12-13,16H,11H2,1-6H3
InChIKeyYHGMKICHGBYMLR-UHFFFAOYSA-N
XLogP2.05
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-Methoxyphenyl)sulfonylpiperazin-1-yl]-3-methylbutan-1-one
CID 717180
3,4-dimethoxy-N-[2-(2-oxo-1-imidazolidinyl)ethyl]benzenesulfonamide
CID 2810730
4-ethoxy-N-ethyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 6471321
3-[(4-methoxyphenyl)sulfonyl]-N,N,2-trimethylimidazolidine-1-carboxamide
CID 6498838
(3S,4S)-3-[methyl-(4-phenoxyphenyl)sulfonylamino]-4-sulfanylpyrrolidine-1-carboxamide
CID 58307579
3-(4-Methoxy-benzenesulfonyl)-1,3,5-triaza-bicyclo[3.2.1]octane
CID 4749449
4-ethoxy-N-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 3163377
4-Methoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide
CID 894137
N-ethyl-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 2989949
{3-[(4-Methoxyphenyl)sulfonyl]-5-methylimidazolidin-1-yl}(morpholin-4-yl)methanone
CID 6498820
3-[(4-methoxyphenyl)sulfonyl]-N,N,2,5-tetramethylimidazolidine-1-carboxamide
CID 6498840
{3-[(4-Methoxyphenyl)sulfonyl]-2-methylimidazolidin-1-yl}(morpholin-4-yl)methanone
CID 6498826

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide (CID 6498844) is 3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide is COc1ccc(S(=O)(=O)N2CC(C)N(C(=O)N(C)C)C2C(C)C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide?
The InChIKey is YHGMKICHGBYMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-12(2)16-19(11-13(3)20(16)17(21)18(4)5)25(22,23)15-9-7-14(24-6)8-10-15/h7-10,12-13,16H,11H2,1-6H3.
What are the key properties of 3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide?
3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide is sourced from PubChem (CID 6498844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).