1-[4-(methanesulfonamido)phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide

C16H24N2O4S — CID 50827021

IUPAC1-[4-(methanesulfonamido)phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide
SMILESCOCCCNC(=O)C1(c2ccc(NS(C)(=O)=O)cc2)CCC1
InChIInChI=1S/C16H24N2O4S/c1-22-12-4-11-17-15(19)16(9-3-10-16)13-5-7-14(8-6-13)18-23(2,20)21/h5-8,18H,3-4,9-12H2,1-2H3,(H,17,19)
InChIKeyVBDKKRMOUWVFRJ-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.63
Rot. Bonds8

About 1-[4-(methanesulfonamido)phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide

1-[4-(methanesulfonamido)phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide (PubChem CID 50827021) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-[4-(methanesulfonamido)phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(methanesulfonamido)phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide
PubChem CID50827021
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name1-[4-(methanesulfonamido)phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide
SMILESCOCCCNC(=O)C1(c2ccc(NS(C)(=O)=O)cc2)CCC1
InChIInChI=1S/C16H24N2O4S/c1-22-12-4-11-17-15(19)16(9-3-10-16)13-5-7-14(8-6-13)18-23(2,20)21/h5-8,18H,3-4,9-12H2,1-2H3,(H,17,19)
InChIKeyVBDKKRMOUWVFRJ-UHFFFAOYSA-N
XLogP1.63
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(benzenesulfonamido)phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 50827004
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 50827022
N-(3-methoxypropyl)-1-[4-(thiophen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
CID 46378261
1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062147
1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062143
1-(4-methoxyphenyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 110485708
1-[4-(methanesulfonamido)phenyl]-N-[(4-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 53110672
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 50822417
1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 50822392
N-[(2-fluorophenyl)methyl]-1-[4-(methanesulfonamido)phenyl]cyclobutane-1-carboxamide
CID 53110667
1-[4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 53110671
4-chloro-N-[4-[1-(3-methoxypropylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821650

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methanesulfonamido)phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-[4-(methanesulfonamido)phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide (CID 50827021) is 1-[4-(methanesulfonamido)phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-[4-(methanesulfonamido)phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-[4-(methanesulfonamido)phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide is COCCCNC(=O)C1(c2ccc(NS(C)(=O)=O)cc2)CCC1.
What is the InChIKey of 1-[4-(methanesulfonamido)phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide?
The InChIKey is VBDKKRMOUWVFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-22-12-4-11-17-15(19)16(9-3-10-16)13-5-7-14(8-6-13)18-23(2,20)21/h5-8,18H,3-4,9-12H2,1-2H3,(H,17,19).
What are the key properties of 1-[4-(methanesulfonamido)phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide?
1-[4-(methanesulfonamido)phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methanesulfonamido)phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 50827021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).