N-[(1S,3S)-3-methylcyclopentyl]-2-[(4-nitrophenyl)sulfonylamino]acetamide

C14H19N3O5S — CID 124679803

IUPACN-[(1S,3S)-3-methylcyclopentyl]-2-[(4-nitrophenyl)sulfonylamino]acetamide
SMILESC[C@H]1CC[C@H](NC(=O)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C14H19N3O5S/c1-10-2-3-11(8-10)16-14(18)9-15-23(21,22)13-6-4-12(5-7-13)17(19)20/h4-7,10-11,15H,2-3,8-9H2,1H3,(H,16,18)/t10-,11-/m0/s1
InChIKeyFYFPIEKZVTXCFB-QWRGUYRKSA-N
MW341.39 g/mol
LogP1.18
Rot. Bonds6

About N-[(1S,3S)-3-methylcyclopentyl]-2-[(4-nitrophenyl)sulfonylamino]acetamide

N-[(1S,3S)-3-methylcyclopentyl]-2-[(4-nitrophenyl)sulfonylamino]acetamide (PubChem CID 124679803) has the molecular formula C14H19N3O5S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[(1S,3S)-3-methylcyclopentyl]-2-[(4-nitrophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-methylcyclopentyl]-2-[(4-nitrophenyl)sulfonylamino]acetamide
PubChem CID124679803
Molecular FormulaC14H19N3O5S
Molecular Weight341.39 g/mol
Exact Mass341.10
IUPAC NameN-[(1S,3S)-3-methylcyclopentyl]-2-[(4-nitrophenyl)sulfonylamino]acetamide
SMILESC[C@H]1CC[C@H](NC(=O)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C14H19N3O5S/c1-10-2-3-11(8-10)16-14(18)9-15-23(21,22)13-6-4-12(5-7-13)17(19)20/h4-7,10-11,15H,2-3,8-9H2,1H3,(H,16,18)/t10-,11-/m0/s1
InChIKeyFYFPIEKZVTXCFB-QWRGUYRKSA-N
XLogP1.18
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 51.18
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-(1-methyl-5-oxopyrrolidin-3-yl)-2-[(4-nitrophenyl)sulfonylamino]acetamide
CID 67085352
N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-2-[(4-nitrophenyl)sulfonylamino]acetamide
CID 124564945
1-(3-methylcyclopentyl)-3-(4-nitrophenyl)urea
CID 114552539
3-[(4-nitrophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66032166
N-(3-methylcyclopentyl)-2-(3-nitrophenoxy)acetamide
CID 114549924
N-cyclopropyl-2-(4-nitrophenyl)acetamide
CID 4249885
2-[(4-carbamothioylphenyl)sulfonylamino]-N-cyclopropylacetamide
CID 43568529
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide
CID 43401368
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-[(4-nitrophenyl)sulfonylamino]acetamide
CID 169259836
N-[3-(cyclopropylamino)propyl]-4-nitrobenzenesulfonamide
CID 43598615
4-nitrobenzenesulfonyl chloride;4-nitro-N-(2-oxopropyl)benzenesulfonamide
CID 91082928
2-fluoro-N-(3-methylcyclopentyl)-5-nitrobenzamide
CID 114545572

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-methylcyclopentyl]-2-[(4-nitrophenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(1S,3S)-3-methylcyclopentyl]-2-[(4-nitrophenyl)sulfonylamino]acetamide (CID 124679803) is N-[(1S,3S)-3-methylcyclopentyl]-2-[(4-nitrophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(1S,3S)-3-methylcyclopentyl]-2-[(4-nitrophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(1S,3S)-3-methylcyclopentyl]-2-[(4-nitrophenyl)sulfonylamino]acetamide is C[C@H]1CC[C@H](NC(=O)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1.
What is the InChIKey of N-[(1S,3S)-3-methylcyclopentyl]-2-[(4-nitrophenyl)sulfonylamino]acetamide?
The InChIKey is FYFPIEKZVTXCFB-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H19N3O5S/c1-10-2-3-11(8-10)16-14(18)9-15-23(21,22)13-6-4-12(5-7-13)17(19)20/h4-7,10-11,15H,2-3,8-9H2,1H3,(H,16,18)/t10-,11-/m0/s1.
What are the key properties of N-[(1S,3S)-3-methylcyclopentyl]-2-[(4-nitrophenyl)sulfonylamino]acetamide?
N-[(1S,3S)-3-methylcyclopentyl]-2-[(4-nitrophenyl)sulfonylamino]acetamide has a molecular weight of 341.39 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-methylcyclopentyl]-2-[(4-nitrophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 124679803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).