5-[ethyl(2-methoxyethyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride

C11H16ClNO4S2 — CID 112676744

IUPAC5-[ethyl(2-methoxyethyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride
SMILESCCN(CCOC)C(=O)c1cc(S(=O)(=O)Cl)c(C)s1
InChIInChI=1S/C11H16ClNO4S2/c1-4-13(5-6-17-3)11(14)9-7-10(8(2)18-9)19(12,15)16/h7H,4-6H2,1-3H3
InChIKeyZBGSOKQTQHTGSR-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.09
Rot. Bonds6

About 5-[ethyl(2-methoxyethyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride

5-[ethyl(2-methoxyethyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride (PubChem CID 112676744) has the molecular formula C11H16ClNO4S2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 5-[ethyl(2-methoxyethyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride.

Molecular Properties

Compound Name5-[ethyl(2-methoxyethyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride
PubChem CID112676744
Molecular FormulaC11H16ClNO4S2
Molecular Weight325.84 g/mol
Exact Mass325.02
IUPAC Name5-[ethyl(2-methoxyethyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride
SMILESCCN(CCOC)C(=O)c1cc(S(=O)(=O)Cl)c(C)s1
InChIInChI=1S/C11H16ClNO4S2/c1-4-13(5-6-17-3)11(14)9-7-10(8(2)18-9)19(12,15)16/h7H,4-6H2,1-3H3
InChIKeyZBGSOKQTQHTGSR-UHFFFAOYSA-N
XLogP2.09
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxyethyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate
CID 112676797
5-[cyclopropylmethyl(propyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride
CID 115994032
3-[ethyl(2-methoxyethyl)carbamoyl]-2,5-difluorobenzenesulfonyl chloride
CID 65370803
2-[(4,5-dimethylthiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 54969489
3-[ethyl(2-methoxyethyl)carbamoyl]-4,5-difluorobenzenesulfonyl chloride
CID 65372146
2-methyl-5-(2-propan-2-yloxyethylcarbamoyl)thiophene-3-sulfonyl chloride
CID 104766618
2-methyl-5-(3-methylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride
CID 112676745
1-ethyl-5-[ethyl(2-methoxyethyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611287
2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)thiophene-3-sulfonyl chloride
CID 112676712
4-[2-methoxyethyl(propan-2-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 82948456
5-[(1-ethylcyclopropyl)methylcarbamoyl]-2-methylthiophene-3-sulfonyl chloride
CID 114102246
2-methoxyethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate
CID 112689917

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(2-methoxyethyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride?
The IUPAC name of 5-[ethyl(2-methoxyethyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride (CID 112676744) is 5-[ethyl(2-methoxyethyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride.
What is the SMILES notation for 5-[ethyl(2-methoxyethyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride?
The canonical SMILES for 5-[ethyl(2-methoxyethyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride is CCN(CCOC)C(=O)c1cc(S(=O)(=O)Cl)c(C)s1.
What is the InChIKey of 5-[ethyl(2-methoxyethyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride?
The InChIKey is ZBGSOKQTQHTGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO4S2/c1-4-13(5-6-17-3)11(14)9-7-10(8(2)18-9)19(12,15)16/h7H,4-6H2,1-3H3.
What are the key properties of 5-[ethyl(2-methoxyethyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride?
5-[ethyl(2-methoxyethyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride has a molecular weight of 325.84 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(2-methoxyethyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride is sourced from PubChem (CID 112676744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).