4-(2-propan-2-yloxyethylcarbamoyl)thiophene-2-sulfonyl chloride

C10H14ClNO4S2 — CID 104766562

IUPAC4-(2-propan-2-yloxyethylcarbamoyl)thiophene-2-sulfonyl chloride
SMILESCC(C)OCCNC(=O)c1csc(S(=O)(=O)Cl)c1
InChIInChI=1S/C10H14ClNO4S2/c1-7(2)16-4-3-12-10(13)8-5-9(17-6-8)18(11,14)15/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyANOCVBCMCUEJKW-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.83
Rot. Bonds6

About 4-(2-propan-2-yloxyethylcarbamoyl)thiophene-2-sulfonyl chloride

4-(2-propan-2-yloxyethylcarbamoyl)thiophene-2-sulfonyl chloride (PubChem CID 104766562) has the molecular formula C10H14ClNO4S2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 4-(2-propan-2-yloxyethylcarbamoyl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name4-(2-propan-2-yloxyethylcarbamoyl)thiophene-2-sulfonyl chloride
PubChem CID104766562
Molecular FormulaC10H14ClNO4S2
Molecular Weight311.81 g/mol
Exact Mass311.01
IUPAC Name4-(2-propan-2-yloxyethylcarbamoyl)thiophene-2-sulfonyl chloride
SMILESCC(C)OCCNC(=O)c1csc(S(=O)(=O)Cl)c1
InChIInChI=1S/C10H14ClNO4S2/c1-7(2)16-4-3-12-10(13)8-5-9(17-6-8)18(11,14)15/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyANOCVBCMCUEJKW-UHFFFAOYSA-N
XLogP1.83
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.83
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

4-(2-methoxypropylcarbamoyl)thiophene-2-sulfonyl chloride
CID 102701127
4-(pentylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65368999
4-(hexylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65397268
4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride
CID 65397370
2-bromo-3-methyl-5-(2-propan-2-yloxyethylcarbamoyl)benzenesulfonyl chloride
CID 104766575
2-methyl-5-(2-propan-2-yloxyethylcarbamoyl)thiophene-3-sulfonyl chloride
CID 104766618
4-[(1-methylcyclopentyl)carbamoyl]thiophene-2-sulfonyl chloride
CID 65398442
3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 110418217
methyl 5-chlorosulfonylthiophene-3-carboxylate
CID 43414198
4-chloro-3-(2-propan-2-yloxyethylcarbamoyl)benzenesulfonyl chloride
CID 104766605
4-amino-3,5-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 104600972
1-propan-2-yl-5-(2-propan-2-yloxyethylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611509

Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-yloxyethylcarbamoyl)thiophene-2-sulfonyl chloride?
The IUPAC name of 4-(2-propan-2-yloxyethylcarbamoyl)thiophene-2-sulfonyl chloride (CID 104766562) is 4-(2-propan-2-yloxyethylcarbamoyl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 4-(2-propan-2-yloxyethylcarbamoyl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 4-(2-propan-2-yloxyethylcarbamoyl)thiophene-2-sulfonyl chloride is CC(C)OCCNC(=O)c1csc(S(=O)(=O)Cl)c1.
What is the InChIKey of 4-(2-propan-2-yloxyethylcarbamoyl)thiophene-2-sulfonyl chloride?
The InChIKey is ANOCVBCMCUEJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO4S2/c1-7(2)16-4-3-12-10(13)8-5-9(17-6-8)18(11,14)15/h5-7H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 4-(2-propan-2-yloxyethylcarbamoyl)thiophene-2-sulfonyl chloride?
4-(2-propan-2-yloxyethylcarbamoyl)thiophene-2-sulfonyl chloride has a molecular weight of 311.81 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-yloxyethylcarbamoyl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 104766562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).