N-(3-cyclohexyloxypropyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide

C17H28N2O4S2 — CID 24532565

IUPACN-(3-cyclohexyloxypropyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)NCCCOC2CCCCC2)s1
InChIInChI=1S/C17H28N2O4S2/c1-25(21,22)19-12-10-15-8-9-16(24-15)17(20)18-11-5-13-23-14-6-3-2-4-7-14/h8-9,14,19H,2-7,10-13H2,1H3,(H,18,20)
InChIKeyKFQBTWCYAXNIGF-UHFFFAOYSA-N
MW388.56 g/mol
LogP2.31
Rot. Bonds10

About N-(3-cyclohexyloxypropyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide

N-(3-cyclohexyloxypropyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide (PubChem CID 24532565) has the molecular formula C17H28N2O4S2 and a molecular weight of 388.56 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
PubChem CID24532565
Molecular FormulaC17H28N2O4S2
Molecular Weight388.56 g/mol
Exact Mass388.15
IUPAC NameN-(3-cyclohexyloxypropyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)NCCCOC2CCCCC2)s1
InChIInChI=1S/C17H28N2O4S2/c1-25(21,22)19-12-10-15-8-9-16(24-15)17(20)18-11-5-13-23-14-6-3-2-4-7-14/h8-9,14,19H,2-7,10-13H2,1H3,(H,18,20)
InChIKeyKFQBTWCYAXNIGF-UHFFFAOYSA-N
XLogP2.31
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 52.31
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-(3-cyclopentyloxypropyl)-4,5-dimethylthiophene-2-carboxamide
CID 49002161
5-bromo-N-(3-cyclohexyloxypropyl)-4-methylthiophene-2-carboxamide
CID 79987057
1-(3-cyclohexyloxypropyl)-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide
CID 111398312
N-[2-[5-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 24532124
5-[2-(methanesulfonamido)ethyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 30600984
N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652
N-(3,5-dimethylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 27285772
N-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide
CID 134029978
N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
CID 80710683
N-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide
CID 39950494
5-[2-(methanesulfonamido)ethyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide
CID 24532861
4-(5-chlorothiophen-2-yl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide
CID 134030077

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide (CID 24532565) is N-(3-cyclohexyloxypropyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide is CS(=O)(=O)NCCc1ccc(C(=O)NCCCOC2CCCCC2)s1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
The InChIKey is KFQBTWCYAXNIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S2/c1-25(21,22)19-12-10-15-8-9-16(24-15)17(20)18-11-5-13-23-14-6-3-2-4-7-14/h8-9,14,19H,2-7,10-13H2,1H3,(H,18,20).
What are the key properties of N-(3-cyclohexyloxypropyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
N-(3-cyclohexyloxypropyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide has a molecular weight of 388.56 g/mol, XLogP of 2.31, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 24532565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).