N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-nitrophenyl)sulfanylacetamide

C16H16ClN3O3S — CID 46458024

IUPACN-[3-chloro-2-(dimethylamino)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16ClN3O3S/c1-19(2)16-13(17)4-3-5-14(16)18-15(21)10-24-12-8-6-11(7-9-12)20(22)23/h3-9H,10H2,1-2H3,(H,18,21)
InChIKeyXIEPEYZMJQEZPQ-UHFFFAOYSA-N
MW365.84 g/mol
LogP4.05
Rot. Bonds6

About N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-nitrophenyl)sulfanylacetamide

N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-nitrophenyl)sulfanylacetamide (PubChem CID 46458024) has the molecular formula C16H16ClN3O3S and a molecular weight of 365.84 g/mol. Its IUPAC name is N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-nitrophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[3-chloro-2-(dimethylamino)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
PubChem CID46458024
Molecular FormulaC16H16ClN3O3S
Molecular Weight365.84 g/mol
Exact Mass365.06
IUPAC NameN-[3-chloro-2-(dimethylamino)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16ClN3O3S/c1-19(2)16-13(17)4-3-5-14(16)18-15(21)10-24-12-8-6-11(7-9-12)20(22)23/h3-9H,10H2,1-2H3,(H,18,21)
InChIKeyXIEPEYZMJQEZPQ-UHFFFAOYSA-N
XLogP4.05
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]-4-nitrobenzamide
CID 23094873
N-(2,5-dichlorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26086204
2-(4-nitrophenyl)sulfanyl-N-(2-oxo-1H-pyridin-3-yl)acetamide
CID 51101089
N-[2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 47047335
3-chloro-2-N,2-N-dimethyl-1-N-[(4-nitrophenyl)methyl]benzene-1,2-diamine
CID 43739674
N-(2,6-diethylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26880535
N-[3-chloro-2-(dimethylamino)phenyl]-2-iodo-5-nitrobenzamide
CID 55762753
N-[3-chloro-2-(dimethylamino)phenyl]-3-(2-nitroanilino)propanamide
CID 55766229
2-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 35929032
2-(4-chlorophenyl)sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide
CID 7501336
N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 46809343
N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-(4-nitrophenyl)sulfanylacetamide
CID 26731366

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-nitrophenyl)sulfanylacetamide?
The IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-nitrophenyl)sulfanylacetamide (CID 46458024) is N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-nitrophenyl)sulfanylacetamide.
What is the SMILES notation for N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-nitrophenyl)sulfanylacetamide?
The canonical SMILES for N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-nitrophenyl)sulfanylacetamide is CN(C)c1c(Cl)cccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-nitrophenyl)sulfanylacetamide?
The InChIKey is XIEPEYZMJQEZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3S/c1-19(2)16-13(17)4-3-5-14(16)18-15(21)10-24-12-8-6-11(7-9-12)20(22)23/h3-9H,10H2,1-2H3,(H,18,21).
What are the key properties of N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-nitrophenyl)sulfanylacetamide?
N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-nitrophenyl)sulfanylacetamide has a molecular weight of 365.84 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-nitrophenyl)sulfanylacetamide is sourced from PubChem (CID 46458024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).