2-(4-hydroxyphenyl)sulfanyl-N-(4-nitrophenyl)acetamide

C14H12N2O4S — CID 61032368

IUPAC2-(4-hydroxyphenyl)sulfanyl-N-(4-nitrophenyl)acetamide
SMILESO=C(CSc1ccc(O)cc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12N2O4S/c17-12-5-7-13(8-6-12)21-9-14(18)15-10-1-3-11(4-2-10)16(19)20/h1-8,17H,9H2,(H,15,18)
InChIKeyMULICYFZGSOHOM-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.03
Rot. Bonds5

About 2-(4-hydroxyphenyl)sulfanyl-N-(4-nitrophenyl)acetamide

2-(4-hydroxyphenyl)sulfanyl-N-(4-nitrophenyl)acetamide (PubChem CID 61032368) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)sulfanyl-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)sulfanyl-N-(4-nitrophenyl)acetamide
PubChem CID61032368
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name2-(4-hydroxyphenyl)sulfanyl-N-(4-nitrophenyl)acetamide
SMILESO=C(CSc1ccc(O)cc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12N2O4S/c17-12-5-7-13(8-6-12)21-9-14(18)15-10-1-3-11(4-2-10)16(19)20/h1-8,17H,9H2,(H,15,18)
InChIKeyMULICYFZGSOHOM-UHFFFAOYSA-N
XLogP3.03
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
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-(4-nitrophenyl)sulfanylacetyl]amino]phenyl]propanamide
CID 55788390
N-(4-nitrophenyl)-2-phenylsulfanylacetamide
CID 3879245
N-[4-(4-nitrophenyl)sulfanylphenyl]-2-phenylsulfanylacetamide
CID 1317844
3,3-dimethyl-N-[4-[2-(4-nitroanilino)-2-oxoethyl]sulfanylphenyl]butanamide
CID 19631057
2-(4-nitrophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2083460
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 30857592
N-(3-chloro-4-fluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 3354300
2-(4-nitrophenyl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 2121931
N-(3-bromophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 8713877
2-(4-hydroxyphenyl)sulfanyl-N-(4-methylsulfonylphenyl)acetamide
CID 51099210
N-(4-ethylphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 47262869
N-[4-(2-methoxyphenoxy)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 24529878

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-N-(4-nitrophenyl)acetamide (CID 61032368) is 2-(4-hydroxyphenyl)sulfanyl-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)sulfanyl-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)sulfanyl-N-(4-nitrophenyl)acetamide is O=C(CSc1ccc(O)cc1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)sulfanyl-N-(4-nitrophenyl)acetamide?
The InChIKey is MULICYFZGSOHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c17-12-5-7-13(8-6-12)21-9-14(18)15-10-1-3-11(4-2-10)16(19)20/h1-8,17H,9H2,(H,15,18).
What are the key properties of 2-(4-hydroxyphenyl)sulfanyl-N-(4-nitrophenyl)acetamide?
2-(4-hydroxyphenyl)sulfanyl-N-(4-nitrophenyl)acetamide has a molecular weight of 304.33 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)sulfanyl-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 61032368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).