N-[2-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]ethyl]acetamide

C10H16N4O5S2 — CID 80730943

IUPACN-[2-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]ethyl]acetamide
SMILESCCNc1sc(S(=O)(=O)NCCNC(C)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O5S2/c1-3-11-10-8(14(16)17)6-9(20-10)21(18,19)13-5-4-12-7(2)15/h6,11,13H,3-5H2,1-2H3,(H,12,15)
InChIKeyQUUWSRLTZRXXSB-UHFFFAOYSA-N
MW336.40 g/mol
LogP0.50
Rot. Bonds8

About N-[2-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]ethyl]acetamide

N-[2-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]ethyl]acetamide (PubChem CID 80730943) has the molecular formula C10H16N4O5S2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[2-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]ethyl]acetamide
PubChem CID80730943
Molecular FormulaC10H16N4O5S2
Molecular Weight336.40 g/mol
Exact Mass336.06
IUPAC NameN-[2-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]ethyl]acetamide
SMILESCCNc1sc(S(=O)(=O)NCCNC(C)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O5S2/c1-3-11-10-8(14(16)17)6-9(20-10)21(18,19)13-5-4-12-7(2)15/h6,11,13H,3-5H2,1-2H3,(H,12,15)
InChIKeyQUUWSRLTZRXXSB-UHFFFAOYSA-N
XLogP0.50
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]propanamide
CID 80747104
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-(ethylamino)-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80746591
5-(ethylamino)-4-nitro-N-phenylthiophene-2-sulfonamide
CID 80744740
N-[2-(methanesulfonamido)ethyl]-5-(methylamino)-4-nitrothiophene-2-sulfonamide
CID 80731405
2-[(5-amino-4-nitrothiophen-2-yl)sulfonylamino]ethylurea
CID 83114819
N-cyclopentyl-5-(ethylamino)-4-nitrothiophene-2-sulfonamide
CID 80746261
N-[2-[(2,4-dichloro-5-nitrophenyl)sulfonylamino]ethyl]acetamide
CID 100613309
5-(ethylamino)-N-hexan-3-yl-4-nitrothiophene-2-sulfonamide
CID 80730755
5-(ethylamino)-N-morpholin-4-yl-4-nitrothiophene-2-sulfonamide
CID 83016233

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]ethyl]acetamide (CID 80730943) is N-[2-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]ethyl]acetamide is CCNc1sc(S(=O)(=O)NCCNC(C)=O)cc1[N+](=O)[O-].
What is the InChIKey of N-[2-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]ethyl]acetamide?
The InChIKey is QUUWSRLTZRXXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O5S2/c1-3-11-10-8(14(16)17)6-9(20-10)21(18,19)13-5-4-12-7(2)15/h6,11,13H,3-5H2,1-2H3,(H,12,15).
What are the key properties of N-[2-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]ethyl]acetamide?
N-[2-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]ethyl]acetamide has a molecular weight of 336.40 g/mol, XLogP of 0.50, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 80730943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).