3-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]propanamide

C9H14N4O5S2 — CID 80747104

IUPAC3-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]propanamide
SMILESCCNc1sc(S(=O)(=O)NCCC(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C9H14N4O5S2/c1-2-11-9-6(13(15)16)5-8(19-9)20(17,18)12-4-3-7(10)14/h5,11-12H,2-4H2,1H3,(H2,10,14)
InChIKeyJPMPECBKKRTDFZ-UHFFFAOYSA-N
MW322.37 g/mol
LogP0.24
Rot. Bonds8

About 3-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]propanamide

3-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]propanamide (PubChem CID 80747104) has the molecular formula C9H14N4O5S2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]propanamide.

Molecular Properties

Compound Name3-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]propanamide
PubChem CID80747104
Molecular FormulaC9H14N4O5S2
Molecular Weight322.37 g/mol
Exact Mass322.04
IUPAC Name3-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]propanamide
SMILESCCNc1sc(S(=O)(=O)NCCC(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C9H14N4O5S2/c1-2-11-9-6(13(15)16)5-8(19-9)20(17,18)12-4-3-7(10)14/h5,11-12H,2-4H2,1H3,(H2,10,14)
InChIKeyJPMPECBKKRTDFZ-UHFFFAOYSA-N
XLogP0.24
TPSA144.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]ethyl]acetamide
CID 80730943
5-(ethylamino)-N-(2-methylsulfanylethyl)-4-nitrothiophene-2-sulfonamide
CID 80746711
5-(ethylamino)-4-nitro-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 80731137
N-(2-cyclopropylethyl)-5-(ethylamino)-4-nitrothiophene-2-sulfonamide
CID 80747604
5-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]pentanamide
CID 106235500
5-(ethylamino)-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80746591
5-(ethylamino)-4-nitro-N-phenylthiophene-2-sulfonamide
CID 80744740
5-(ethylamino)-4-nitro-N-(1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 80747085
N-cyclopentyl-5-(ethylamino)-4-nitrothiophene-2-sulfonamide
CID 80746261
ethyl 3-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]propanoate
CID 80741913
N-ethyl-5-(ethylamino)-4-nitro-N-propylthiophene-2-sulfonamide
CID 80746350
5-(ethylamino)-N-hexan-3-yl-4-nitrothiophene-2-sulfonamide
CID 80730755

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]propanamide?
The IUPAC name of 3-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]propanamide (CID 80747104) is 3-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]propanamide.
What is the SMILES notation for 3-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]propanamide?
The canonical SMILES for 3-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]propanamide is CCNc1sc(S(=O)(=O)NCCC(N)=O)cc1[N+](=O)[O-].
What is the InChIKey of 3-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]propanamide?
The InChIKey is JPMPECBKKRTDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O5S2/c1-2-11-9-6(13(15)16)5-8(19-9)20(17,18)12-4-3-7(10)14/h5,11-12H,2-4H2,1H3,(H2,10,14).
What are the key properties of 3-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]propanamide?
3-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]propanamide has a molecular weight of 322.37 g/mol, XLogP of 0.24, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]propanamide is sourced from PubChem (CID 80747104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).