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

C10H14ClN3O5S2 — CID 112729900

IUPAC2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C10H14ClN3O5S2/c1-3-4-12-10(15)6(2)13-21(18,19)8-5-7(14(16)17)9(11)20-8/h5-6,13H,3-4H2,1-2H3,(H,12,15)
InChIKeyDLVQCIUZEFMDBR-UHFFFAOYSA-N
MW355.83 g/mol
LogP1.50
Rot. Bonds7

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

2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-propylpropanamide (PubChem CID 112729900) 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-propylpropanamide.

Molecular Properties

Compound Name2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-propylpropanamide
PubChem CID112729900
Molecular FormulaC10H14ClN3O5S2
Molecular Weight355.83 g/mol
Exact Mass355.01
IUPAC Name2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C10H14ClN3O5S2/c1-3-4-12-10(15)6(2)13-21(18,19)8-5-7(14(16)17)9(11)20-8/h5-6,13H,3-4H2,1-2H3,(H,12,15)
InChIKeyDLVQCIUZEFMDBR-UHFFFAOYSA-N
XLogP1.50
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
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

2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103108335
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
(2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]-N-propylpropanamide
CID 8800972
5-chloro-N-(1-cyclopropylethyl)-4-nitrothiophene-2-sulfonamide
CID 80742232
(2S)-2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 107824052
5-chloro-N-(6-methylheptan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80736166
(2R)-2-[(4-nitrophenyl)sulfonylamino]-N-propylpropanamide
CID 8800730
3-methyl-5-[[1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
CID 43706036
N-(2-aminopropyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742338
5-chloro-N-[2-(ethylamino)ethyl]-4-nitrothiophene-2-sulfonamide
CID 80742406

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-propylpropanamide?
The IUPAC name of 2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-propylpropanamide (CID 112729900) is 2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-propylpropanamide is CCCNC(=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-propylpropanamide?
The InChIKey is DLVQCIUZEFMDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O5S2/c1-3-4-12-10(15)6(2)13-21(18,19)8-5-7(14(16)17)9(11)20-8/h5-6,13H,3-4H2,1-2H3,(H,12,15).
What are the key properties of 2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-propylpropanamide?
2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-propylpropanamide has a molecular weight of 355.83 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 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-propylpropanamide is sourced from PubChem (CID 112729900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).