N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(3-sulfamoylbutanoyl)azetidine-3-carboxamide

C24H30F2N4O5S — CID 175086364

IUPACN-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(3-sulfamoylbutanoyl)azetidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(C(=O)CC(C)S(N)(=O)=O)C2)c(OC(F)F)n1
InChIInChI=1S/C24H30F2N4O5S/c1-14(2)17-7-5-6-8-18(17)24(12-30(13-24)20(31)11-16(4)36(27,33)34)22(32)29-19-10-9-15(3)28-21(19)35-23(25)26/h5-10,14,16,23H,11-13H2,1-4H3,(H,29,32)(H2,27,33,34)
InChIKeyFHDQJRJZYMUTBO-UHFFFAOYSA-N
MW524.59 g/mol
LogP2.90
Rot. Bonds9

About N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(3-sulfamoylbutanoyl)azetidine-3-carboxamide

N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(3-sulfamoylbutanoyl)azetidine-3-carboxamide (PubChem CID 175086364) has the molecular formula C24H30F2N4O5S and a molecular weight of 524.59 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(3-sulfamoylbutanoyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(3-sulfamoylbutanoyl)azetidine-3-carboxamide
PubChem CID175086364
Molecular FormulaC24H30F2N4O5S
Molecular Weight524.59 g/mol
Exact Mass524.19
IUPAC NameN-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(3-sulfamoylbutanoyl)azetidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(C(=O)CC(C)S(N)(=O)=O)C2)c(OC(F)F)n1
InChIInChI=1S/C24H30F2N4O5S/c1-14(2)17-7-5-6-8-18(17)24(12-30(13-24)20(31)11-16(4)36(27,33)34)22(32)29-19-10-9-15(3)28-21(19)35-23(25)26/h5-10,14,16,23H,11-13H2,1-4H3,(H,29,32)(H2,27,33,34)
InChIKeyFHDQJRJZYMUTBO-UHFFFAOYSA-N
XLogP2.90
TPSA131.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.59
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-[2-(sulfamoylamino)ethyl]azetidine-3-carboxamide
CID 146265693
1-[3-(acetylsulfamoyl)propanoyl]-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 166512794
ethyl 2-[[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]sulfonylamino]acetate
CID 150283235
3-[2-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-2-oxoethyl]oxetane-3-carboxylic acid
CID 166512843
[1-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-1-oxopropan-2-yl]carbamic acid
CID 146265906
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(propylsulfamoyl)azetidine-3-carboxamide
CID 166512797
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-[2-(1-hydroxycyclopropyl)ethyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 146265782
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-[2-(methylamino)ethyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 166512830
1-[(2S)-3-amino-2-hydroxypropyl]-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 146265857
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(2H-tetrazole-5-carbonyl)azetidine-3-carboxamide
CID 166512885
cis-(1S,2R)-2-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 146265739
2-[[2-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-2-oxoethyl]-(2-methoxyethyl)amino]acetic acid
CID 153372102

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(3-sulfamoylbutanoyl)azetidine-3-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(3-sulfamoylbutanoyl)azetidine-3-carboxamide (CID 175086364) is N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(3-sulfamoylbutanoyl)azetidine-3-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(3-sulfamoylbutanoyl)azetidine-3-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(3-sulfamoylbutanoyl)azetidine-3-carboxamide is Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(C(=O)CC(C)S(N)(=O)=O)C2)c(OC(F)F)n1.
What is the InChIKey of N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(3-sulfamoylbutanoyl)azetidine-3-carboxamide?
The InChIKey is FHDQJRJZYMUTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N4O5S/c1-14(2)17-7-5-6-8-18(17)24(12-30(13-24)20(31)11-16(4)36(27,33)34)22(32)29-19-10-9-15(3)28-21(19)35-23(25)26/h5-10,14,16,23H,11-13H2,1-4H3,(H,29,32)(H2,27,33,34).
What are the key properties of N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(3-sulfamoylbutanoyl)azetidine-3-carboxamide?
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(3-sulfamoylbutanoyl)azetidine-3-carboxamide has a molecular weight of 524.59 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(3-sulfamoylbutanoyl)azetidine-3-carboxamide is sourced from PubChem (CID 175086364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).