N-(2-cyclopentyloxyethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide

C13H20N2O4S2 — CID 115612435

IUPACN-(2-cyclopentyloxyethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NCCOC2CCCC2)cc1S(N)(=O)=O
InChIInChI=1S/C13H20N2O4S2/c1-9-12(21(14,17)18)8-11(20-9)13(16)15-6-7-19-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyMNVUYDXYJLIEDE-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.39
Rot. Bonds6

About N-(2-cyclopentyloxyethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide

N-(2-cyclopentyloxyethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide (PubChem CID 115612435) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
PubChem CID115612435
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC NameN-(2-cyclopentyloxyethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NCCOC2CCCC2)cc1S(N)(=O)=O
InChIInChI=1S/C13H20N2O4S2/c1-9-12(21(14,17)18)8-11(20-9)13(16)15-6-7-19-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyMNVUYDXYJLIEDE-UHFFFAOYSA-N
XLogP1.39
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclohexylethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 115612428
N-(3-cyclopentyloxypropyl)-4,5-dimethylthiophene-2-carboxamide
CID 49002161
5-methyl-N-(oxan-4-ylmethyl)-4-sulfamoylthiophene-2-carboxamide
CID 115612472
5-methyl-N-[(2-methylcyclopentyl)methyl]-4-sulfamoylthiophene-2-carboxamide
CID 107421025
N-[(1-cyclopropylcyclopropyl)methyl]-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 103839322
5-methyl-N-(3-methylsulfinylbutyl)-4-sulfamoylthiophene-2-carboxamide
CID 115729501
5-(4-ethoxypiperidine-1-carbonyl)-2-methylthiophene-3-sulfonamide
CID 115612442
5-bromo-N-(3-cyclohexyloxypropyl)-4-methylthiophene-2-carboxamide
CID 79987057
5-methyl-N-(2-methylbutyl)-4-sulfamoylthiophene-2-carboxamide
CID 112676814
5-(2-cyclopropylethylcarbamoyl)-2-methylthiophene-3-sulfonyl chloride
CID 112676774
N,N-bis(cyclopropylmethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 115629451
2-methyl-5-(2-propan-2-yloxyethylcarbamoyl)thiophene-3-sulfonyl chloride
CID 104766618

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide?
The IUPAC name of N-(2-cyclopentyloxyethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide (CID 115612435) is N-(2-cyclopentyloxyethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide is Cc1sc(C(=O)NCCOC2CCCC2)cc1S(N)(=O)=O.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide?
The InChIKey is MNVUYDXYJLIEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-9-12(21(14,17)18)8-11(20-9)13(16)15-6-7-19-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(2-cyclopentyloxyethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide?
N-(2-cyclopentyloxyethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide is sourced from PubChem (CID 115612435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).