2-cyclobutyl-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide

C14H20N2O4S — CID 103164409

IUPAC2-cyclobutyl-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CC2CCC2)cc1S(N)(=O)=O
InChIInChI=1S/C14H20N2O4S/c1-20-12-6-5-11(7-13(12)21(15,18)19)9-16-14(17)8-10-3-2-4-10/h5-7,10H,2-4,8-9H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyMGOIVXGCNQDWHG-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.15
Rot. Bonds6

About 2-cyclobutyl-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide

2-cyclobutyl-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide (PubChem CID 103164409) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-cyclobutyl-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide
PubChem CID103164409
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-cyclobutyl-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CC2CCC2)cc1S(N)(=O)=O
InChIInChI=1S/C14H20N2O4S/c1-20-12-6-5-11(7-13(12)21(15,18)19)9-16-14(17)8-10-3-2-4-10/h5-7,10H,2-4,8-9H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyMGOIVXGCNQDWHG-UHFFFAOYSA-N
XLogP1.15
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclohexylacetamide
CID 60972004
N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclopropylacetamide
CID 55031718
N-[(4-methoxy-3-sulfamoylphenyl)methyl]oxolane-2-carboxamide
CID 43246848
2-(4-bromo-2-hydroxyphenyl)-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide
CID 166195849
2-cyclopentyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide
CID 54786541
N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide
CID 71757647
3-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 4794325
2-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167308
2-methoxy-5-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride
CID 18539168
5-[(butylsulfonylamino)methyl]-2-methoxybenzenesulfonamide
CID 43246908
2-(4-methoxy-3-sulfamoylphenyl)-N-pentan-3-ylacetamide
CID 65374268
2-cyclobutyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 103707492

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-cyclobutyl-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide (CID 103164409) is 2-cyclobutyl-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-cyclobutyl-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-cyclobutyl-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide is COc1ccc(CNC(=O)CC2CCC2)cc1S(N)(=O)=O.
What is the InChIKey of 2-cyclobutyl-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide?
The InChIKey is MGOIVXGCNQDWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-20-12-6-5-11(7-13(12)21(15,18)19)9-16-14(17)8-10-3-2-4-10/h5-7,10H,2-4,8-9H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2-cyclobutyl-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide?
2-cyclobutyl-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide has a molecular weight of 312.39 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 103164409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).