N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclobutanecarboxamide

C14H20N2O3S — CID 34737269

IUPACN-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclobutanecarboxamide
SMILESC[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)C1CCC1
InChIInChI=1S/C14H20N2O3S/c1-10(16(2)14(17)12-4-3-5-12)11-6-8-13(9-7-11)20(15,18)19/h6-10,12H,3-5H2,1-2H3,(H2,15,18,19)/t10-/m0/s1
InChIKeyBNRYQWLHRCSRTC-JTQLQIEISA-N
MW296.39 g/mol
LogP1.65
Rot. Bonds4

About N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclobutanecarboxamide

N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclobutanecarboxamide (PubChem CID 34737269) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclobutanecarboxamide
PubChem CID34737269
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclobutanecarboxamide
SMILESC[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)C1CCC1
InChIInChI=1S/C14H20N2O3S/c1-10(16(2)14(17)12-4-3-5-12)11-6-8-13(9-7-11)20(15,18)19/h6-10,12H,3-5H2,1-2H3,(H2,15,18,19)/t10-/m0/s1
InChIKeyBNRYQWLHRCSRTC-JTQLQIEISA-N
XLogP1.65
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]cyclopentanecarboxamide
CID 34737287
N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]cyclohex-3-ene-1-carboxamide
CID 46635383
N-[1-(4-bromophenyl)ethyl]-N-methylcyclopropanecarboxamide
CID 163259808
N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
CID 47141179
3-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119717417
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide
CID 60939297
4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919716
N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]cyclobutanecarboxamide
CID 8820417
N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635530
4-[1-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-methylamino]ethyl]benzenesulfonamide
CID 55412916
N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 51650990
N-[1-(4-fluorophenyl)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119275393

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclobutanecarboxamide (CID 34737269) is N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclobutanecarboxamide is C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)C1CCC1.
What is the InChIKey of N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclobutanecarboxamide?
The InChIKey is BNRYQWLHRCSRTC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10(16(2)14(17)12-4-3-5-12)11-6-8-13(9-7-11)20(15,18)19/h6-10,12H,3-5H2,1-2H3,(H2,15,18,19)/t10-/m0/s1.
What are the key properties of N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclobutanecarboxamide?
N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclobutanecarboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 34737269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).