N-(3-cyclopentylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide

C19H20N2O5S2 — CID 39209515

IUPACN-(3-cyclopentylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)C2CCCC2)c1
InChIInChI=1S/C19H20N2O5S2/c22-19(13-27-16-10-8-15(9-11-16)21(23)24)20-14-4-3-7-18(12-14)28(25,26)17-5-1-2-6-17/h3-4,7-12,17H,1-2,5-6,13H2,(H,20,22)
InChIKeyOKAPSYPIZXSTJT-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.04
Rot. Bonds7

About N-(3-cyclopentylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide

N-(3-cyclopentylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide (PubChem CID 39209515) has the molecular formula C19H20N2O5S2 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-(3-cyclopentylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-cyclopentylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
PubChem CID39209515
Molecular FormulaC19H20N2O5S2
Molecular Weight420.51 g/mol
Exact Mass420.08
IUPAC NameN-(3-cyclopentylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)C2CCCC2)c1
InChIInChI=1S/C19H20N2O5S2/c22-19(13-27-16-10-8-15(9-11-16)21(23)24)20-14-4-3-7-18(12-14)28(25,26)17-5-1-2-6-17/h3-4,7-12,17H,1-2,5-6,13H2,(H,20,22)
InChIKeyOKAPSYPIZXSTJT-UHFFFAOYSA-N
XLogP4.04
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-(4-nitrophenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 4593253
N-(3-bromophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 8713877
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 5138478
2-(4-bromophenyl)sulfanyl-N-(4-cyclopentylsulfonylphenyl)acetamide
CID 39178437
2-(4-nitrophenyl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 2121931
N-(4-nitrophenyl)-2-phenylsulfanylacetamide
CID 3879245
N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 55797041
2-(4-bromophenyl)-N-(3-cyclopentylsulfonylphenyl)acetamide
CID 39209795
2-(4-hydroxyphenyl)sulfanyl-N-(4-nitrophenyl)acetamide
CID 61032368
N-[4-(4-nitrophenyl)sulfanylphenyl]-2-phenylsulfanylacetamide
CID 1317844
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 9107095
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 24635451

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide?
The IUPAC name of N-(3-cyclopentylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide (CID 39209515) is N-(3-cyclopentylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide.
What is the SMILES notation for N-(3-cyclopentylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide?
The canonical SMILES for N-(3-cyclopentylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide is O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)C2CCCC2)c1.
What is the InChIKey of N-(3-cyclopentylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide?
The InChIKey is OKAPSYPIZXSTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S2/c22-19(13-27-16-10-8-15(9-11-16)21(23)24)20-14-4-3-7-18(12-14)28(25,26)17-5-1-2-6-17/h3-4,7-12,17H,1-2,5-6,13H2,(H,20,22).
What are the key properties of N-(3-cyclopentylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide?
N-(3-cyclopentylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide has a molecular weight of 420.51 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide is sourced from PubChem (CID 39209515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).