2-[ethyl-(2-nitrophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide

C15H17N3O5S2 — CID 2424003

IUPAC2-[ethyl-(2-nitrophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H17N3O5S2/c1-2-17(11-15(19)16-10-12-6-5-9-24-12)25(22,23)14-8-4-3-7-13(14)18(20)21/h3-9H,2,10-11H2,1H3,(H,16,19)
InChIKeyILEAPIUBXDPEJV-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.98
Rot. Bonds8

About 2-[ethyl-(2-nitrophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide

2-[ethyl-(2-nitrophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2424003) has the molecular formula C15H17N3O5S2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[ethyl-(2-nitrophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-(2-nitrophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2424003
Molecular FormulaC15H17N3O5S2
Molecular Weight383.45 g/mol
Exact Mass383.06
IUPAC Name2-[ethyl-(2-nitrophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H17N3O5S2/c1-2-17(11-15(19)16-10-12-6-5-9-24-12)25(22,23)14-8-4-3-7-13(14)18(20)21/h3-9H,2,10-11H2,1H3,(H,16,19)
InChIKeyILEAPIUBXDPEJV-UHFFFAOYSA-N
XLogP1.98
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.98
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-[ethyl-(2-nitrophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30329088
2-(4-chloro-N-ethyl-2-nitroanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 9113455
2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8960861
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8002079
2-(4-acetyl-N-ethyl-2-nitroanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 9113458
1-[2-(diethylsulfamoyl)-4-nitroanilino]-3-(thiophen-2-ylmethyl)thiourea
CID 46800339
4-(diethylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 4882047
2-[(4-acetylphenyl)sulfonyl-benzylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 4787744
N-benzyl-2-nitro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 43001354
2-[ethyl-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 24565711
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 24537823
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 78957766

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-nitrophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[ethyl-(2-nitrophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 2424003) is 2-[ethyl-(2-nitrophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[ethyl-(2-nitrophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[ethyl-(2-nitrophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide is CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[ethyl-(2-nitrophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is ILEAPIUBXDPEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S2/c1-2-17(11-15(19)16-10-12-6-5-9-24-12)25(22,23)14-8-4-3-7-13(14)18(20)21/h3-9H,2,10-11H2,1H3,(H,16,19).
What are the key properties of 2-[ethyl-(2-nitrophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
2-[ethyl-(2-nitrophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 383.45 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-nitrophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2424003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).