N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide

C14H20N4O5S2 — CID 119939474

IUPACN-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N4O5S2/c19-14(9-11-10-24-8-7-15-11)16-5-6-17-25(22,23)13-4-2-1-3-12(13)18(20)21/h1-4,11,15,17H,5-10H2,(H,16,19)
InChIKeyUOXRODCMOPDMBA-UHFFFAOYSA-N
MW388.47 g/mol
LogP0.08
Rot. Bonds8

About N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide

N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119939474) has the molecular formula C14H20N4O5S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119939474
Molecular FormulaC14H20N4O5S2
Molecular Weight388.47 g/mol
Exact Mass388.09
IUPAC NameN-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N4O5S2/c19-14(9-11-10-24-8-7-15-11)16-5-6-17-25(22,23)13-4-2-1-3-12(13)18(20)21/h1-4,11,15,17H,5-10H2,(H,16,19)
InChIKeyUOXRODCMOPDMBA-UHFFFAOYSA-N
XLogP0.08
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119936053
3-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride
CID 119329222
N-[2-(methanesulfonamido)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66421416
N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145151
N-(3-anilinopropyl)-2-thiomorpholin-3-ylacetamide
CID 119941694
N-(3-benzylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide
CID 119936943
N-(3-nitrophenyl)-2-thiomorpholin-3-ylacetamide
CID 66421212
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119935568
N-[2-(4-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66423074
2-nitro-N-[4-[(2-nitrophenyl)sulfonylamino]butyl]benzenesulfonamide
CID 3955828
2-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]pentanamide
CID 119329237
N-[2-(N-methylanilino)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940895

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide (CID 119939474) is N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is UOXRODCMOPDMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O5S2/c19-14(9-11-10-24-8-7-15-11)16-5-6-17-25(22,23)13-4-2-1-3-12(13)18(20)21/h1-4,11,15,17H,5-10H2,(H,16,19).
What are the key properties of N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide?
N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 388.47 g/mol, XLogP of 0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119939474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).