N-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide

C16H17N3O4S2 — CID 90511213

IUPACN-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C2CN(C(=O)c3cccs3)C2)cc1
InChIInChI=1S/C16H17N3O4S2/c17-25(22,23)13-5-3-11(4-6-13)8-18-15(20)12-9-19(10-12)16(21)14-2-1-7-24-14/h1-7,12H,8-10H2,(H,18,20)(H2,17,22,23)
InChIKeyIMYWJEGSTRIXOK-UHFFFAOYSA-N
MW379.46 g/mol
LogP0.78
Rot. Bonds5

About N-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide

N-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide (PubChem CID 90511213) has the molecular formula C16H17N3O4S2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
PubChem CID90511213
Molecular FormulaC16H17N3O4S2
Molecular Weight379.46 g/mol
Exact Mass379.07
IUPAC NameN-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C2CN(C(=O)c3cccs3)C2)cc1
InChIInChI=1S/C16H17N3O4S2/c17-25(22,23)13-5-3-11(4-6-13)8-18-15(20)12-9-19(10-12)16(21)14-2-1-7-24-14/h1-7,12H,8-10H2,(H,18,20)(H2,17,22,23)
InChIKeyIMYWJEGSTRIXOK-UHFFFAOYSA-N
XLogP0.78
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511042
1-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)azetidine-3-carboxamide
CID 90511056
N-[(4-chlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46556728
1-(thiophene-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide
CID 90511251
1-(thiophene-2-carbonyl)-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
CID 90511244
N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide
CID 10470657
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9400507
N-[(3-fluoro-4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134002117
(2S)-N-[2-(4-sulfamoylphenyl)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 9465319
1-(1,3-benzothiazol-2-yl)-N-[(4-sulfamoylphenyl)methyl]azetidine-3-carboxamide
CID 90604098
N-(2-morpholin-4-ylethyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511031
N-cyclododecyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511039

Frequently Asked Questions

What is the IUPAC name of N-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide (CID 90511213) is N-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)C2CN(C(=O)c3cccs3)C2)cc1.
What is the InChIKey of N-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The InChIKey is IMYWJEGSTRIXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S2/c17-25(22,23)13-5-3-11(4-6-13)8-18-15(20)12-9-19(10-12)16(21)14-2-1-7-24-14/h1-7,12H,8-10H2,(H,18,20)(H2,17,22,23).
What are the key properties of N-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
N-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90511213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).