N-[bis(methylsulfanyl)methylidene]-4-methoxybenzamide

C11H13NO2S2 — CID 12571173

IUPACN-[bis(methylsulfanyl)methylidene]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N=C(SC)SC)cc1
InChIInChI=1S/C11H13NO2S2/c1-14-9-6-4-8(5-7-9)10(13)12-11(15-2)16-3/h4-7H,1-3H3
InChIKeyXJFUZSFSGCNHPZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.92
Rot. Bonds2

About N-[bis(methylsulfanyl)methylidene]-4-methoxybenzamide

N-[bis(methylsulfanyl)methylidene]-4-methoxybenzamide (PubChem CID 12571173) has the molecular formula C11H13NO2S2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[bis(methylsulfanyl)methylidene]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[bis(methylsulfanyl)methylidene]-4-methoxybenzamide
PubChem CID12571173
Molecular FormulaC11H13NO2S2
Molecular Weight255.36 g/mol
Exact Mass255.04
IUPAC NameN-[bis(methylsulfanyl)methylidene]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N=C(SC)SC)cc1
InChIInChI=1S/C11H13NO2S2/c1-14-9-6-4-8(5-7-9)10(13)12-11(15-2)16-3/h4-7H,1-3H3
InChIKeyXJFUZSFSGCNHPZ-UHFFFAOYSA-N
XLogP2.92
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(1,2-diaminoethylidene)-4-methoxybenzamide
CID 145143005
S-methyl 2-(4-methoxyphenyl)-2-oxoethanethioate
CID 12957088
(4-methoxyphenyl)-tris(4-methoxybenzoyl)germylmethanone
CID 140911136
S-methylsulfanyl 4-methoxybenzenecarbothioate
CID 15469179
methyl N'-carbamoyl-N-(4-methoxybenzoyl)carbamimidothioate
CID 134892189
4-methoxy-N'-(4-methoxybenzoyl)-N,N'-dimethylbenzohydrazide
CID 14949074
1-(4-methoxyphenyl)-2,2-bis(methylsulfanyl)ethenol
CID 10444427
1-(4-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-2-oxoethyl]-dimethyl-λ4-selanyl]ethanone
CID 21357126
2-methoxyethyl N,N-diethyl-N'-(4-methoxybenzoyl)carbamimidate
CID 7271101
4-methoxybenzoic acid;silver
CID 140722019
(4-methoxybenzoyl)-λ2-stannane
CID 174742034
4-methoxybenzoic acid;hydrobromide
CID 172731707

Frequently Asked Questions

What is the IUPAC name of N-[bis(methylsulfanyl)methylidene]-4-methoxybenzamide?
The IUPAC name of N-[bis(methylsulfanyl)methylidene]-4-methoxybenzamide (CID 12571173) is N-[bis(methylsulfanyl)methylidene]-4-methoxybenzamide.
What is the SMILES notation for N-[bis(methylsulfanyl)methylidene]-4-methoxybenzamide?
The canonical SMILES for N-[bis(methylsulfanyl)methylidene]-4-methoxybenzamide is COc1ccc(C(=O)N=C(SC)SC)cc1.
What is the InChIKey of N-[bis(methylsulfanyl)methylidene]-4-methoxybenzamide?
The InChIKey is XJFUZSFSGCNHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S2/c1-14-9-6-4-8(5-7-9)10(13)12-11(15-2)16-3/h4-7H,1-3H3.
What are the key properties of N-[bis(methylsulfanyl)methylidene]-4-methoxybenzamide?
N-[bis(methylsulfanyl)methylidene]-4-methoxybenzamide has a molecular weight of 255.36 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(methylsulfanyl)methylidene]-4-methoxybenzamide is sourced from PubChem (CID 12571173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).