N-(4-morpholin-4-ylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide

C17H18N4O4S — CID 2980339

IUPACN-(4-morpholin-4-ylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
SMILESO=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H18N4O4S/c22-16(12-26-17-6-5-15(11-18-17)21(23)24)19-13-1-3-14(4-2-13)20-7-9-25-10-8-20/h1-6,11H,7-10,12H2,(H,19,22)
InChIKeyIWYREMYATZTVON-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.56
Rot. Bonds6

About N-(4-morpholin-4-ylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide

N-(4-morpholin-4-ylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide (PubChem CID 2980339) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
PubChem CID2980339
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC NameN-(4-morpholin-4-ylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
SMILESO=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H18N4O4S/c22-16(12-26-17-6-5-15(11-18-17)21(23)24)19-13-1-3-14(4-2-13)20-7-9-25-10-8-20/h1-6,11H,7-10,12H2,(H,19,22)
InChIKeyIWYREMYATZTVON-UHFFFAOYSA-N
XLogP2.56
TPSA97.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-morpholin-4-ylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 2339953
N-(2-morpholin-4-ylphenyl)-2-(5-nitropyridin-2-yl)sulfanylacetamide
CID 2952274
N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]-2-[(5-nitropyridin-2-yl)sulfanyl]acetamide
CID 2983813
N-[3-chloro-4-(morpholin-4-yl)phenyl]-2-[(5-nitropyridin-2-yl)sulfanyl]acetamide
CID 3318597
N-(3-morpholin-4-ylsulfonylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide
CID 4528972
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 4607409
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 3509167
N-[4-(acetylamino)phenyl]-2-[(5-nitropyridin-2-yl)sulfanyl]acetamide
CID 4036264
N-(2,4-difluorophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
CID 2798192
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 24498822
N-(4-nitrophenyl)-2-(pyridin-2-ylthio)acetamide
CID 2882321
N-(4-morpholin-4-ylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide;hydrochloride
CID 16196960

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide (CID 2980339) is N-(4-morpholin-4-ylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide is O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is IWYREMYATZTVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c22-16(12-26-17-6-5-15(11-18-17)21(23)24)19-13-1-3-14(4-2-13)20-7-9-25-10-8-20/h1-6,11H,7-10,12H2,(H,19,22).
What are the key properties of N-(4-morpholin-4-ylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide?
N-(4-morpholin-4-ylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 374.42 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 2980339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).