N-tert-butyl-2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]acetamide

C10H14ClN3O5S2 — CID 115356229

IUPACN-tert-butyl-2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]acetamide
SMILESCC(C)(C)NC(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C10H14ClN3O5S2/c1-10(2,3)13-7(15)5-12-21(18,19)8-4-6(14(16)17)9(11)20-8/h4,12H,5H2,1-3H3,(H,13,15)
InChIKeyUGMPSITUJLDHMP-UHFFFAOYSA-N
MW355.83 g/mol
LogP1.50
Rot. Bonds5

About N-tert-butyl-2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]acetamide

N-tert-butyl-2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]acetamide (PubChem CID 115356229) has the molecular formula C10H14ClN3O5S2 and a molecular weight of 355.83 g/mol. Its IUPAC name is N-tert-butyl-2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]acetamide
PubChem CID115356229
Molecular FormulaC10H14ClN3O5S2
Molecular Weight355.83 g/mol
Exact Mass355.01
IUPAC NameN-tert-butyl-2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]acetamide
SMILESCC(C)(C)NC(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C10H14ClN3O5S2/c1-10(2,3)13-7(15)5-12-21(18,19)8-4-6(14(16)17)9(11)20-8/h4,12H,5H2,1-3H3,(H,13,15)
InChIKeyUGMPSITUJLDHMP-UHFFFAOYSA-N
XLogP1.50
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 51.50
H-Bond Donors ≤ 52
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

5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-4-nitrothiophene-2-sulfonamide
CID 106143626
ethyl 2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]acetate
CID 80742234
5-chloro-N-[2-(ethylamino)ethyl]-4-nitrothiophene-2-sulfonamide
CID 80742406
5-chloro-N-(2-chloroethyl)-4-nitrothiophene-2-sulfonamide
CID 80742265
5-chloro-N-(2-iodoethyl)-4-nitrothiophene-2-sulfonamide
CID 106442151
N-(2-aminopropyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742338
5-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]pentanamide
CID 106235500
2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-2-methylpentanoic acid
CID 80735306
ethyl 3-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]propanoate
CID 80741913
5-chloro-N-(3-methylsulfonylpropyl)-4-nitrothiophene-2-sulfonamide
CID 80742040
5-chloro-N-[2-(methylsulfamoyl)ethyl]-4-nitrothiophene-2-sulfonamide
CID 106336240
4-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 107835282

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]acetamide (CID 115356229) is N-tert-butyl-2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]acetamide is CC(C)(C)NC(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1.
What is the InChIKey of N-tert-butyl-2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]acetamide?
The InChIKey is UGMPSITUJLDHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O5S2/c1-10(2,3)13-7(15)5-12-21(18,19)8-4-6(14(16)17)9(11)20-8/h4,12H,5H2,1-3H3,(H,13,15).
What are the key properties of N-tert-butyl-2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]acetamide?
N-tert-butyl-2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]acetamide has a molecular weight of 355.83 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]acetamide is sourced from PubChem (CID 115356229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).