N-[2,5-dimethyl-4-[(2-sulfanylacetyl)amino]phenyl]-2-sulfanylacetamide

C12H16N2O2S2 — CID 22182791

IUPACN-[2,5-dimethyl-4-[(2-sulfanylacetyl)amino]phenyl]-2-sulfanylacetamide
SMILESCc1cc(NC(=O)CS)c(C)cc1NC(=O)CS
InChIInChI=1S/C12H16N2O2S2/c1-7-3-10(14-12(16)6-18)8(2)4-9(7)13-11(15)5-17/h3-4,17-18H,5-6H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyFBNVIGUZWYBQAK-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.04
Rot. Bonds4

About N-[2,5-dimethyl-4-[(2-sulfanylacetyl)amino]phenyl]-2-sulfanylacetamide

N-[2,5-dimethyl-4-[(2-sulfanylacetyl)amino]phenyl]-2-sulfanylacetamide (PubChem CID 22182791) has the molecular formula C12H16N2O2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-[2,5-dimethyl-4-[(2-sulfanylacetyl)amino]phenyl]-2-sulfanylacetamide.

Molecular Properties

Compound NameN-[2,5-dimethyl-4-[(2-sulfanylacetyl)amino]phenyl]-2-sulfanylacetamide
PubChem CID22182791
Molecular FormulaC12H16N2O2S2
Molecular Weight284.41 g/mol
Exact Mass284.07
IUPAC NameN-[2,5-dimethyl-4-[(2-sulfanylacetyl)amino]phenyl]-2-sulfanylacetamide
SMILESCc1cc(NC(=O)CS)c(C)cc1NC(=O)CS
InChIInChI=1S/C12H16N2O2S2/c1-7-3-10(14-12(16)6-18)8(2)4-9(7)13-11(15)5-17/h3-4,17-18H,5-6H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyFBNVIGUZWYBQAK-UHFFFAOYSA-N
XLogP2.04
TPSA58.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-5-propan-2-ylphenyl)-2-sulfanylacetamide
CID 21131547
N-(4-iodo-2,5-dimethylphenyl)propanamide
CID 839810
N-(2-methyl-3-pyridinyl)-2-sulfanylacetamide
CID 79044042
N-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide
CID 102807672
N-(4,5-difluoro-2-methylphenyl)propanamide
CID 154643466
N-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide
CID 81289356
N-(2,4,5-trimethylphenyl)carbamoyl fluoride
CID 88834231
4-amino-N-(4-hydroxy-2,5-dimethylphenyl)butanamide
CID 106954356
N-[4-(2-methylanilino)phenyl]-2-sulfanylacetamide
CID 57104342
N-(4-hydroxy-2,5-dimethylphenyl)-2-(prop-2-ynylamino)acetamide
CID 106954515
N-(4-amino-2,5-dimethylphenyl)-4,4-dimethylpentanamide
CID 114212732
N-(2,4-dimethoxy-3-methylphenyl)-2-sulfanylacetamide
CID 115166939

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethyl-4-[(2-sulfanylacetyl)amino]phenyl]-2-sulfanylacetamide?
The IUPAC name of N-[2,5-dimethyl-4-[(2-sulfanylacetyl)amino]phenyl]-2-sulfanylacetamide (CID 22182791) is N-[2,5-dimethyl-4-[(2-sulfanylacetyl)amino]phenyl]-2-sulfanylacetamide.
What is the SMILES notation for N-[2,5-dimethyl-4-[(2-sulfanylacetyl)amino]phenyl]-2-sulfanylacetamide?
The canonical SMILES for N-[2,5-dimethyl-4-[(2-sulfanylacetyl)amino]phenyl]-2-sulfanylacetamide is Cc1cc(NC(=O)CS)c(C)cc1NC(=O)CS.
What is the InChIKey of N-[2,5-dimethyl-4-[(2-sulfanylacetyl)amino]phenyl]-2-sulfanylacetamide?
The InChIKey is FBNVIGUZWYBQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S2/c1-7-3-10(14-12(16)6-18)8(2)4-9(7)13-11(15)5-17/h3-4,17-18H,5-6H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-[2,5-dimethyl-4-[(2-sulfanylacetyl)amino]phenyl]-2-sulfanylacetamide?
N-[2,5-dimethyl-4-[(2-sulfanylacetyl)amino]phenyl]-2-sulfanylacetamide has a molecular weight of 284.41 g/mol, XLogP of 2.04, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethyl-4-[(2-sulfanylacetyl)amino]phenyl]-2-sulfanylacetamide is sourced from PubChem (CID 22182791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).