N-[3-(benzylsulfinylmethyl)phenyl]morpholine-3-carboxamide

C19H22N2O3S — CID 119789843

IUPACN-[3-(benzylsulfinylmethyl)phenyl]morpholine-3-carboxamide
SMILESO=C(Nc1cccc(CS(=O)Cc2ccccc2)c1)C1COCCN1
InChIInChI=1S/C19H22N2O3S/c22-19(18-12-24-10-9-20-18)21-17-8-4-7-16(11-17)14-25(23)13-15-5-2-1-3-6-15/h1-8,11,18,20H,9-10,12-14H2,(H,21,22)
InChIKeyQSUWJYMFODZXLP-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.06
Rot. Bonds6

About N-[3-(benzylsulfinylmethyl)phenyl]morpholine-3-carboxamide

N-[3-(benzylsulfinylmethyl)phenyl]morpholine-3-carboxamide (PubChem CID 119789843) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[3-(benzylsulfinylmethyl)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(benzylsulfinylmethyl)phenyl]morpholine-3-carboxamide
PubChem CID119789843
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[3-(benzylsulfinylmethyl)phenyl]morpholine-3-carboxamide
SMILESO=C(Nc1cccc(CS(=O)Cc2ccccc2)c1)C1COCCN1
InChIInChI=1S/C19H22N2O3S/c22-19(18-12-24-10-9-20-18)21-17-8-4-7-16(11-17)14-25(23)13-15-5-2-1-3-6-15/h1-8,11,18,20H,9-10,12-14H2,(H,21,22)
InChIKeyQSUWJYMFODZXLP-UHFFFAOYSA-N
XLogP2.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(benzylsulfinylmethyl)phenyl]morpholine-3-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-[3-(benzylsulfinylmethyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119327157
(3S)-N-[3-(tert-butylsulfanylmethyl)phenyl]morpholine-3-carboxamide
CID 100652547
N-(3-phenoxyphenyl)morpholine-3-carboxamide
CID 75422303
(3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide
CID 129372263
N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119710451
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119687667
N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]morpholine-3-carboxamide
CID 119738923
N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride
CID 119759666
N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]morpholine-3-carboxamide
CID 119754157
N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]morpholine-3-carboxamide;dihydrochloride
CID 119899006
N-(3-ethylsulfanylphenyl)morpholine-3-carboxamide
CID 119787005

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzylsulfinylmethyl)phenyl]morpholine-3-carboxamide?
The IUPAC name of N-[3-(benzylsulfinylmethyl)phenyl]morpholine-3-carboxamide (CID 119789843) is N-[3-(benzylsulfinylmethyl)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[3-(benzylsulfinylmethyl)phenyl]morpholine-3-carboxamide?
The canonical SMILES for N-[3-(benzylsulfinylmethyl)phenyl]morpholine-3-carboxamide is O=C(Nc1cccc(CS(=O)Cc2ccccc2)c1)C1COCCN1.
What is the InChIKey of N-[3-(benzylsulfinylmethyl)phenyl]morpholine-3-carboxamide?
The InChIKey is QSUWJYMFODZXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-19(18-12-24-10-9-20-18)21-17-8-4-7-16(11-17)14-25(23)13-15-5-2-1-3-6-15/h1-8,11,18,20H,9-10,12-14H2,(H,21,22).
What are the key properties of N-[3-(benzylsulfinylmethyl)phenyl]morpholine-3-carboxamide?
N-[3-(benzylsulfinylmethyl)phenyl]morpholine-3-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzylsulfinylmethyl)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 119789843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).