4-ethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide

C15H18N2O3S2 — CID 71912305

IUPAC4-ethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide
SMILESCCc1ccc(C(=O)NCCNS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C15H18N2O3S2/c1-2-12-5-7-13(8-6-12)15(18)16-9-10-17-22(19,20)14-4-3-11-21-14/h3-8,11,17H,2,9-10H2,1H3,(H,16,18)
InChIKeyHLRRJOCIIUVIMT-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.02
Rot. Bonds7

About 4-ethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide

4-ethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide (PubChem CID 71912305) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-ethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide
PubChem CID71912305
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC Name4-ethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide
SMILESCCc1ccc(C(=O)NCCNS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C15H18N2O3S2/c1-2-12-5-7-13(8-6-12)15(18)16-9-10-17-22(19,20)14-4-3-11-21-14/h3-8,11,17H,2,9-10H2,1H3,(H,16,18)
InChIKeyHLRRJOCIIUVIMT-UHFFFAOYSA-N
XLogP2.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]quinoxaline-6-carboxamide
CID 108573350
N-(4-ethylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113058478
N-[2-(thiophen-2-ylsulfonylamino)ethyl]pentanamide
CID 108573837
2-iodo-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide
CID 108571250
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
tert-butyl N-[2-(thiophen-2-ylsulfonylamino)ethyl]carbamate
CID 47454485
2-(2-methoxyethoxy)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 108574842
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
N-[2-(ethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119973565
2-[(4-ethylbenzoyl)amino]ethanesulfonic acid
CID 90066946
N-pentylthiophene-2-sulfonamide
CID 5150701
N-[2-(ethylamino)ethyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 119507324

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide?
The IUPAC name of 4-ethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide (CID 71912305) is 4-ethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide?
The canonical SMILES for 4-ethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide is CCc1ccc(C(=O)NCCNS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of 4-ethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide?
The InChIKey is HLRRJOCIIUVIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-2-12-5-7-13(8-6-12)15(18)16-9-10-17-22(19,20)14-4-3-11-21-14/h3-8,11,17H,2,9-10H2,1H3,(H,16,18).
What are the key properties of 4-ethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide?
4-ethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide has a molecular weight of 338.45 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide is sourced from PubChem (CID 71912305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).