3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide

C14H21N3O4S — CID 6498838

IUPAC3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)C)C2C)cc1
InChIInChI=1S/C14H21N3O4S/c1-11-16(14(18)15(2)3)9-10-17(11)22(19,20)13-7-5-12(21-4)6-8-13/h5-8,11H,9-10H2,1-4H3
InChIKeyJTHPHXAFQICALI-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.03
Rot. Bonds3

About 3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide

3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide (PubChem CID 6498838) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide
PubChem CID6498838
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)C)C2C)cc1
InChIInChI=1S/C14H21N3O4S/c1-11-16(14(18)15(2)3)9-10-17(11)22(19,20)13-7-5-12(21-4)6-8-13/h5-8,11H,9-10H2,1-4H3
InChIKeyJTHPHXAFQICALI-UHFFFAOYSA-N
XLogP1.03
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-Methoxyphenyl)sulfonyl]-4-methylpiperazine
CID 676048
1-Ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
N-(2-Azepan-1-yl-2-oxo-ethyl)-4-methoxy-N-methyl-benzenesulfonamide
CID 893362
3,4-Dimethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide
CID 969641
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-Methoxy-benzenesulfonyl)-1,3,5-triaza-bicyclo[3.2.1]octane
CID 4749449
4-(4-Methoxy-benzenesulfonyl)-piperazine-1-carboxylic acid ethyl ester
CID 753490
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
N4-(2-{[(4-methoxyphenyl)sulfonyl]amino}ethyl)morpholine-4-carboxamide
CID 2725779
N-ethyl-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 2989949

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide (CID 6498838) is 3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide is COc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)C)C2C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide?
The InChIKey is JTHPHXAFQICALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-11-16(14(18)15(2)3)9-10-17(11)22(19,20)13-7-5-12(21-4)6-8-13/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide?
3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 1.03, 3 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,2-trimethylimidazolidine-1-carboxamide is sourced from PubChem (CID 6498838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).