N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-2-sulfanylbenzamide

C18H22N2O4S2 — CID 108573477

IUPACN-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-2-sulfanylbenzamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCCNC(=O)c1ccccc1S
InChIInChI=1S/C18H22N2O4S2/c1-12-10-15(24-3)17(11-13(12)2)26(22,23)20-9-8-19-18(21)14-6-4-5-7-16(14)25/h4-7,10-11,20,25H,8-9H2,1-3H3,(H,19,21)
InChIKeyGLINHMAYIOTSRF-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.31
Rot. Bonds7

About N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-2-sulfanylbenzamide

N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-2-sulfanylbenzamide (PubChem CID 108573477) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-2-sulfanylbenzamide
PubChem CID108573477
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC NameN-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-2-sulfanylbenzamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCCNC(=O)c1ccccc1S
InChIInChI=1S/C18H22N2O4S2/c1-12-10-15(24-3)17(11-13(12)2)26(22,23)20-9-8-19-18(21)14-6-4-5-7-16(14)25/h4-7,10-11,20,25H,8-9H2,1-3H3,(H,19,21)
InChIKeyGLINHMAYIOTSRF-UHFFFAOYSA-N
XLogP2.31
TPSA84.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 108573220
N-[2-(ethylsulfonylamino)ethyl]-2-sulfanylbenzamide
CID 108573441
2-(1,3-dioxoisoindol-2-yl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 108572092
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-4-phenoxybutanamide
CID 108573003
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 108573631
N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]benzamide
CID 110292077
2-(4-ethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 108573136
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-methylbenzamide
CID 108574771
3-(3,4-dimethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]propanamide
CID 108574284
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]adamantane-1-carboxamide
CID 108575099
N-[2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 35304540
N-[2-[(2-methoxyacetyl)amino]ethyl]-2-sulfanylbenzamide
CID 108542258

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-2-sulfanylbenzamide?
The IUPAC name of N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-2-sulfanylbenzamide (CID 108573477) is N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-2-sulfanylbenzamide.
What is the SMILES notation for N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-2-sulfanylbenzamide?
The canonical SMILES for N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-2-sulfanylbenzamide is COc1cc(C)c(C)cc1S(=O)(=O)NCCNC(=O)c1ccccc1S.
What is the InChIKey of N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-2-sulfanylbenzamide?
The InChIKey is GLINHMAYIOTSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-12-10-15(24-3)17(11-13(12)2)26(22,23)20-9-8-19-18(21)14-6-4-5-7-16(14)25/h4-7,10-11,20,25H,8-9H2,1-3H3,(H,19,21).
What are the key properties of N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-2-sulfanylbenzamide?
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-2-sulfanylbenzamide has a molecular weight of 394.52 g/mol, XLogP of 2.31, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-2-sulfanylbenzamide is sourced from PubChem (CID 108573477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).