5-methyl-N-(3-methyl-5-methylsulfonylphenyl)-1,4-oxazepane-4-carboxamide

C15H22N2O4S — CID 136559253

IUPAC5-methyl-N-(3-methyl-5-methylsulfonylphenyl)-1,4-oxazepane-4-carboxamide
SMILESCc1cc(NC(=O)N2CCOCCC2C)cc(S(C)(=O)=O)c1
InChIInChI=1S/C15H22N2O4S/c1-11-8-13(10-14(9-11)22(3,19)20)16-15(18)17-5-7-21-6-4-12(17)2/h8-10,12H,4-7H2,1-3H3,(H,16,18)
InChIKeyOYGJYNVOWICVCX-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.04
Rot. Bonds2

About 5-methyl-N-(3-methyl-5-methylsulfonylphenyl)-1,4-oxazepane-4-carboxamide

5-methyl-N-(3-methyl-5-methylsulfonylphenyl)-1,4-oxazepane-4-carboxamide (PubChem CID 136559253) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 5-methyl-N-(3-methyl-5-methylsulfonylphenyl)-1,4-oxazepane-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-methyl-5-methylsulfonylphenyl)-1,4-oxazepane-4-carboxamide
PubChem CID136559253
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name5-methyl-N-(3-methyl-5-methylsulfonylphenyl)-1,4-oxazepane-4-carboxamide
SMILESCc1cc(NC(=O)N2CCOCCC2C)cc(S(C)(=O)=O)c1
InChIInChI=1S/C15H22N2O4S/c1-11-8-13(10-14(9-11)22(3,19)20)16-15(18)17-5-7-21-6-4-12(17)2/h8-10,12H,4-7H2,1-3H3,(H,16,18)
InChIKeyOYGJYNVOWICVCX-UHFFFAOYSA-N
XLogP2.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-N-(3-methyl-5-methylsulfonylphenyl)-1,4-oxazepane-4-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

N-(4-chloro-3-methoxyphenyl)-5-methyl-1,4-oxazepane-4-carboxamide
CID 136537892
(5R)-N-(4-cyclopentyloxyphenyl)-5-methyl-1,4-oxazepane-4-carboxamide
CID 97333817
N-(5-chloro-2-pyridinyl)-5-methyl-1,4-oxazepane-4-carboxamide
CID 146125492
(3S)-3-methyl-N-phenylmorpholine-4-carboxamide
CID 38887208
3-methyl-N-phenylmorpholine-4-carboxamide
CID 47166676
(3R)-3-methyl-N-phenylmorpholine-4-carboxamide
CID 38887206
3-methylsulfonyl-5-[3-(oxan-4-yl)propanoylamino]benzoic acid
CID 119257900
N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1077896
CID 20615968
CID 20615968
2,3-dimethyl-5-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 63022107
(3S)-N-(4-bromo-2,6-difluorophenyl)-3-methylmorpholine-4-carboxamide
CID 99812243
(2S)-1-[(3,5-dimethylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 40639332

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methyl-5-methylsulfonylphenyl)-1,4-oxazepane-4-carboxamide?
The IUPAC name of 5-methyl-N-(3-methyl-5-methylsulfonylphenyl)-1,4-oxazepane-4-carboxamide (CID 136559253) is 5-methyl-N-(3-methyl-5-methylsulfonylphenyl)-1,4-oxazepane-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-methyl-5-methylsulfonylphenyl)-1,4-oxazepane-4-carboxamide?
The canonical SMILES for 5-methyl-N-(3-methyl-5-methylsulfonylphenyl)-1,4-oxazepane-4-carboxamide is Cc1cc(NC(=O)N2CCOCCC2C)cc(S(C)(=O)=O)c1.
What is the InChIKey of 5-methyl-N-(3-methyl-5-methylsulfonylphenyl)-1,4-oxazepane-4-carboxamide?
The InChIKey is OYGJYNVOWICVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-11-8-13(10-14(9-11)22(3,19)20)16-15(18)17-5-7-21-6-4-12(17)2/h8-10,12H,4-7H2,1-3H3,(H,16,18).
What are the key properties of 5-methyl-N-(3-methyl-5-methylsulfonylphenyl)-1,4-oxazepane-4-carboxamide?
5-methyl-N-(3-methyl-5-methylsulfonylphenyl)-1,4-oxazepane-4-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methyl-5-methylsulfonylphenyl)-1,4-oxazepane-4-carboxamide is sourced from PubChem (CID 136559253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).