N-[2,3-dimethoxy-5-(morpholine-4-carbonyl)phenyl]-2-methylsulfanylacetamide

C16H22N2O5S — CID 175642350

IUPACN-[2,3-dimethoxy-5-(morpholine-4-carbonyl)phenyl]-2-methylsulfanylacetamide
SMILESCOc1cc(C(=O)N2CCOCC2)cc(NC(=O)CSC)c1OC
InChIInChI=1S/C16H22N2O5S/c1-21-13-9-11(16(20)18-4-6-23-7-5-18)8-12(15(13)22-2)17-14(19)10-24-3/h8-9H,4-7,10H2,1-3H3,(H,17,19)
InChIKeyQBMLXOFRBYSVHF-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.48
Rot. Bonds6

About N-[2,3-dimethoxy-5-(morpholine-4-carbonyl)phenyl]-2-methylsulfanylacetamide

N-[2,3-dimethoxy-5-(morpholine-4-carbonyl)phenyl]-2-methylsulfanylacetamide (PubChem CID 175642350) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[2,3-dimethoxy-5-(morpholine-4-carbonyl)phenyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[2,3-dimethoxy-5-(morpholine-4-carbonyl)phenyl]-2-methylsulfanylacetamide
PubChem CID175642350
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC NameN-[2,3-dimethoxy-5-(morpholine-4-carbonyl)phenyl]-2-methylsulfanylacetamide
SMILESCOc1cc(C(=O)N2CCOCC2)cc(NC(=O)CSC)c1OC
InChIInChI=1S/C16H22N2O5S/c1-21-13-9-11(16(20)18-4-6-23-7-5-18)8-12(15(13)22-2)17-14(19)10-24-3/h8-9H,4-7,10H2,1-3H3,(H,17,19)
InChIKeyQBMLXOFRBYSVHF-UHFFFAOYSA-N
XLogP1.48
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]propanamide
CID 50875914
(3-iodo-5-methoxy-4-propoxyphenyl)-morpholin-4-ylmethanone
CID 126375071
2-(4-aminophenyl)-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]acetamide
CID 119755689
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide
CID 8746733
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
[3-[2,6-dimethoxy-4-(morpholine-4-carbonyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium chloride
CID 110181138
N-[5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride
CID 119622029
3-amino-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-3-phenylpropanamide
CID 119950750
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide
CID 9079407
3,4-dimethoxy-5-[(2-methoxyacetyl)amino]benzoic acid
CID 119214277
morpholin-4-yl-(5,6,7-trimethoxy-3,4-dihydronaphthalen-2-yl)methanone
CID 110181392
[2,3-diacetyloxy-5-(morpholine-4-carbonyl)phenyl] acetate
CID 12509978

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dimethoxy-5-(morpholine-4-carbonyl)phenyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[2,3-dimethoxy-5-(morpholine-4-carbonyl)phenyl]-2-methylsulfanylacetamide (CID 175642350) is N-[2,3-dimethoxy-5-(morpholine-4-carbonyl)phenyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[2,3-dimethoxy-5-(morpholine-4-carbonyl)phenyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[2,3-dimethoxy-5-(morpholine-4-carbonyl)phenyl]-2-methylsulfanylacetamide is COc1cc(C(=O)N2CCOCC2)cc(NC(=O)CSC)c1OC.
What is the InChIKey of N-[2,3-dimethoxy-5-(morpholine-4-carbonyl)phenyl]-2-methylsulfanylacetamide?
The InChIKey is QBMLXOFRBYSVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-21-13-9-11(16(20)18-4-6-23-7-5-18)8-12(15(13)22-2)17-14(19)10-24-3/h8-9H,4-7,10H2,1-3H3,(H,17,19).
What are the key properties of N-[2,3-dimethoxy-5-(morpholine-4-carbonyl)phenyl]-2-methylsulfanylacetamide?
N-[2,3-dimethoxy-5-(morpholine-4-carbonyl)phenyl]-2-methylsulfanylacetamide has a molecular weight of 354.43 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dimethoxy-5-(morpholine-4-carbonyl)phenyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 175642350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).