3-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]azetidine-1-carboxamide

C16H20F3N3O3S — CID 154764343

IUPAC3-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]azetidine-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)N1CC(CC2CC2)C1
InChIInChI=1S/C16H20F3N3O3S/c17-16(18,19)10-20-26(24,25)14-5-3-13(4-6-14)21-15(23)22-8-12(9-22)7-11-1-2-11/h3-6,11-12,20H,1-2,7-10H2,(H,21,23)
InChIKeyXMYGYJMRBHGYKT-UHFFFAOYSA-N
MW391.42 g/mol
LogP2.79
Rot. Bonds6

About 3-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]azetidine-1-carboxamide

3-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]azetidine-1-carboxamide (PubChem CID 154764343) has the molecular formula C16H20F3N3O3S and a molecular weight of 391.42 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]azetidine-1-carboxamide
PubChem CID154764343
Molecular FormulaC16H20F3N3O3S
Molecular Weight391.42 g/mol
Exact Mass391.12
IUPAC Name3-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]azetidine-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)N1CC(CC2CC2)C1
InChIInChI=1S/C16H20F3N3O3S/c17-16(18,19)10-20-26(24,25)14-5-3-13(4-6-14)21-15(23)22-8-12(9-22)7-11-1-2-11/h3-6,11-12,20H,1-2,7-10H2,(H,21,23)
InChIKeyXMYGYJMRBHGYKT-UHFFFAOYSA-N
XLogP2.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-1,1-dioxothiolan-3-yl]-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide
CID 9474862
N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 17450703
1-(4-fluorobenzoyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 26425670
3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
CID 9474697
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide
CID 9474869
4-hydrazinyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43454892
4-hydroxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43135522
N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 9474695
4-(methylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
CID 119692437
1-[[4-(cyclopropylmethylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122085695
N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9474741
7-amino-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]heptanamide;hydrochloride
CID 119692432

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]azetidine-1-carboxamide?
The IUPAC name of 3-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]azetidine-1-carboxamide (CID 154764343) is 3-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]azetidine-1-carboxamide?
The canonical SMILES for 3-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]azetidine-1-carboxamide is O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)N1CC(CC2CC2)C1.
What is the InChIKey of 3-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]azetidine-1-carboxamide?
The InChIKey is XMYGYJMRBHGYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O3S/c17-16(18,19)10-20-26(24,25)14-5-3-13(4-6-14)21-15(23)22-8-12(9-22)7-11-1-2-11/h3-6,11-12,20H,1-2,7-10H2,(H,21,23).
What are the key properties of 3-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]azetidine-1-carboxamide?
3-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]azetidine-1-carboxamide has a molecular weight of 391.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]azetidine-1-carboxamide is sourced from PubChem (CID 154764343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).