1-(methoxymethyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide

C16H23NO4S — CID 95143299

IUPAC1-(methoxymethyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)CCC1
InChIInChI=1S/C16H23NO4S/c1-12(13-5-7-14(8-6-13)22(3,19)20)17-15(18)16(11-21-2)9-4-10-16/h5-8,12H,4,9-11H2,1-3H3,(H,17,18)/t12-/m1/s1
InChIKeyBKHJFUOCAKPMNE-GFCCVEGCSA-N
MW325.43 g/mol
LogP2.08
Rot. Bonds6

About 1-(methoxymethyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide

1-(methoxymethyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide (PubChem CID 95143299) has the molecular formula C16H23NO4S and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-(methoxymethyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(methoxymethyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide
PubChem CID95143299
Molecular FormulaC16H23NO4S
Molecular Weight325.43 g/mol
Exact Mass325.13
IUPAC Name1-(methoxymethyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)CCC1
InChIInChI=1S/C16H23NO4S/c1-12(13-5-7-14(8-6-13)22(3,19)20)17-15(18)16(11-21-2)9-4-10-16/h5-8,12H,4,9-11H2,1-3H3,(H,17,18)/t12-/m1/s1
InChIKeyBKHJFUOCAKPMNE-GFCCVEGCSA-N
XLogP2.08
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(methoxymethyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]cyclobutane-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-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide
CID 95143298
1-amino-N-[1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide
CID 81172890
4-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide
CID 119695871
N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 125443369
N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120635632
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
N-[1-(4-methylsulfonylphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 133165833
4-(methoxymethyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120621541
4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 120620296
4-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26957780
1-(aminomethyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 115448741
4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 120620295

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(methoxymethyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide (CID 95143299) is 1-(methoxymethyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(methoxymethyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(methoxymethyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide is COCC1(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)CCC1.
What is the InChIKey of 1-(methoxymethyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is BKHJFUOCAKPMNE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23NO4S/c1-12(13-5-7-14(8-6-13)22(3,19)20)17-15(18)16(11-21-2)9-4-10-16/h5-8,12H,4,9-11H2,1-3H3,(H,17,18)/t12-/m1/s1.
What are the key properties of 1-(methoxymethyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide?
1-(methoxymethyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 95143299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).