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

C22H29F2N5O4S — CID 146265693

IUPACN-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-[2-(sulfamoylamino)ethyl]azetidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(CCNS(N)(=O)=O)C2)c(OC(F)F)n1
InChIInChI=1S/C22H29F2N5O4S/c1-14(2)16-6-4-5-7-17(16)22(12-29(13-22)11-10-26-34(25,31)32)20(30)28-18-9-8-15(3)27-19(18)33-21(23)24/h4-9,14,21,26H,10-13H2,1-3H3,(H,28,30)(H2,25,31,32)
InChIKeyVSWWTLMTEHCBQI-UHFFFAOYSA-N
MW497.57 g/mol
LogP2.10
Rot. Bonds10

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

N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-[2-(sulfamoylamino)ethyl]azetidine-3-carboxamide (PubChem CID 146265693) has the molecular formula C22H29F2N5O4S and a molecular weight of 497.57 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-[2-(sulfamoylamino)ethyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-[2-(sulfamoylamino)ethyl]azetidine-3-carboxamide
PubChem CID146265693
Molecular FormulaC22H29F2N5O4S
Molecular Weight497.57 g/mol
Exact Mass497.19
IUPAC NameN-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-[2-(sulfamoylamino)ethyl]azetidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(CCNS(N)(=O)=O)C2)c(OC(F)F)n1
InChIInChI=1S/C22H29F2N5O4S/c1-14(2)16-6-4-5-7-17(16)22(12-29(13-22)11-10-26-34(25,31)32)20(30)28-18-9-8-15(3)27-19(18)33-21(23)24/h4-9,14,21,26H,10-13H2,1-3H3,(H,28,30)(H2,25,31,32)
InChIKeyVSWWTLMTEHCBQI-UHFFFAOYSA-N
XLogP2.10
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-[2-(methylamino)ethyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 166512830
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-[2-(1-hydroxycyclopropyl)ethyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 146265782
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-(3-sulfamoylbutanoyl)azetidine-3-carboxamide
CID 175086364
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-[(2R)-2,3-dihydroxypropyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 146265685
3-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-2,2-dimethylpropanoic acid
CID 166512726
ethyl 2-[[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]sulfonylamino]acetate
CID 150283235
methyl 3-[[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]methyl]oxetane-3-carboxylate
CID 146265818
1-[3-(acetylsulfamoyl)propanoyl]-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 166512794
[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]-4-(2-propan-2-ylphenyl)oxane-4-carboxamide
CID 167456118

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-[2-(sulfamoylamino)ethyl]azetidine-3-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-[2-(sulfamoylamino)ethyl]azetidine-3-carboxamide (CID 146265693) is N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-[2-(sulfamoylamino)ethyl]azetidine-3-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-[2-(sulfamoylamino)ethyl]azetidine-3-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-[2-(sulfamoylamino)ethyl]azetidine-3-carboxamide is Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(CCNS(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-[2-(sulfamoylamino)ethyl]azetidine-3-carboxamide?
The InChIKey is VSWWTLMTEHCBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F2N5O4S/c1-14(2)16-6-4-5-7-17(16)22(12-29(13-22)11-10-26-34(25,31)32)20(30)28-18-9-8-15(3)27-19(18)33-21(23)24/h4-9,14,21,26H,10-13H2,1-3H3,(H,28,30)(H2,25,31,32).
What are the key properties of N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-[2-(sulfamoylamino)ethyl]azetidine-3-carboxamide?
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-[2-(sulfamoylamino)ethyl]azetidine-3-carboxamide has a molecular weight of 497.57 g/mol, XLogP of 2.10, 10 rotatable bonds, 3 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-[2-(sulfamoylamino)ethyl]azetidine-3-carboxamide is sourced from PubChem (CID 146265693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).