N-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide

C14H24N2O4S2 — CID 113053362

IUPACN-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide
SMILESCCc1ccc(S(=O)(=O)NCCN(CCCOC)C(C)=O)s1
InChIInChI=1S/C14H24N2O4S2/c1-4-13-6-7-14(21-13)22(18,19)15-8-10-16(12(2)17)9-5-11-20-3/h6-7,15H,4-5,8-11H2,1-3H3
InChIKeyVOCJTFJUMOVABQ-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.47
Rot. Bonds10

About N-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide

N-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide (PubChem CID 113053362) has the molecular formula C14H24N2O4S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound NameN-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide
PubChem CID113053362
Molecular FormulaC14H24N2O4S2
Molecular Weight348.49 g/mol
Exact Mass348.12
IUPAC NameN-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide
SMILESCCc1ccc(S(=O)(=O)NCCN(CCCOC)C(C)=O)s1
InChIInChI=1S/C14H24N2O4S2/c1-4-13-6-7-14(21-13)22(18,19)15-8-10-16(12(2)17)9-5-11-20-3/h6-7,15H,4-5,8-11H2,1-3H3
InChIKeyVOCJTFJUMOVABQ-UHFFFAOYSA-N
XLogP1.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]acetamide
CID 113052210
N-[2-(ethylsulfonylamino)ethyl]-N-(3-methoxypropyl)acetamide
CID 113053334
N-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]-N-(2-methoxyphenyl)acetamide
CID 113060514
5-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-2-sulfonamide
CID 106092710
N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide
CID 61454391
2-[5-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]thiophen-2-yl]acetic acid
CID 62844503
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide
CID 113053358
N-[[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 30180963
2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxypentanoic acid
CID 81077958
5-ethyl-N-(2-oxopropyl)thiophene-2-sulfonamide
CID 64994375
2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid
CID 29045889
N-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]-N-(3-fluorophenyl)acetamide
CID 113062699

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of N-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide (CID 113053362) is N-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for N-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for N-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide is CCc1ccc(S(=O)(=O)NCCN(CCCOC)C(C)=O)s1.
What is the InChIKey of N-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide?
The InChIKey is VOCJTFJUMOVABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S2/c1-4-13-6-7-14(21-13)22(18,19)15-8-10-16(12(2)17)9-5-11-20-3/h6-7,15H,4-5,8-11H2,1-3H3.
What are the key properties of N-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide?
N-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide has a molecular weight of 348.49 g/mol, XLogP of 1.47, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 113053362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).