2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-ethyl-N-methylpropanamide

C10H14ClN3O5S2 — CID 103108335

IUPAC2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C10H14ClN3O5S2/c1-4-13(3)10(15)6(2)12-21(18,19)8-5-7(14(16)17)9(11)20-8/h5-6,12H,4H2,1-3H3
InChIKeyOTIUNVPILUXQPS-UHFFFAOYSA-N
MW355.83 g/mol
LogP1.45
Rot. Bonds6

About 2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-ethyl-N-methylpropanamide

2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-ethyl-N-methylpropanamide (PubChem CID 103108335) has the molecular formula C10H14ClN3O5S2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-ethyl-N-methylpropanamide
PubChem CID103108335
Molecular FormulaC10H14ClN3O5S2
Molecular Weight355.83 g/mol
Exact Mass355.01
IUPAC Name2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C10H14ClN3O5S2/c1-4-13(3)10(15)6(2)12-21(18,19)8-5-7(14(16)17)9(11)20-8/h5-6,12H,4H2,1-3H3
InChIKeyOTIUNVPILUXQPS-UHFFFAOYSA-N
XLogP1.45
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 51.45
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-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-propylpropanamide
CID 112729900
5-chloro-4-nitro-N-pentan-3-ylthiophene-2-sulfonamide
CID 80741832
5-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-nitrothiophene-2-sulfonamide
CID 80742459
N-(1-aminopropan-2-yl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742339
5-chloro-N-(1-cyclopropylethyl)-4-nitrothiophene-2-sulfonamide
CID 80742232
5-chloro-N-(6-methylheptan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80736166
(2S)-2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 107824052
N-(2-aminopropyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742338
ethyl 2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]acetate
CID 80742234
5-chloro-4-nitro-N-(1-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 80742301
3-[(5-chloro-4-nitrothiophen-2-yl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106915188
N-(2-amino-3-methylbutyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742542

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-ethyl-N-methylpropanamide (CID 103108335) is 2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1.
What is the InChIKey of 2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-ethyl-N-methylpropanamide?
The InChIKey is OTIUNVPILUXQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O5S2/c1-4-13(3)10(15)6(2)12-21(18,19)8-5-7(14(16)17)9(11)20-8/h5-6,12H,4H2,1-3H3.
What are the key properties of 2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-ethyl-N-methylpropanamide?
2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-ethyl-N-methylpropanamide has a molecular weight of 355.83 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103108335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).