3-ethylsulfonyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]azetidine-1-carboxamide

C15H21FN2O3S — CID 138058104

IUPAC3-ethylsulfonyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]azetidine-1-carboxamide
SMILESCCS(=O)(=O)C1CN(C(=O)N[C@H](C)c2ccc(F)c(C)c2)C1
InChIInChI=1S/C15H21FN2O3S/c1-4-22(20,21)13-8-18(9-13)15(19)17-11(3)12-5-6-14(16)10(2)7-12/h5-7,11,13H,4,8-9H2,1-3H3,(H,17,19)/t11-/m1/s1
InChIKeyPQSFVRBKEBGYIR-LLVKDONJSA-N
MW328.41 g/mol
LogP2.02
Rot. Bonds4

About 3-ethylsulfonyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]azetidine-1-carboxamide

3-ethylsulfonyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]azetidine-1-carboxamide (PubChem CID 138058104) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-ethylsulfonyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-ethylsulfonyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]azetidine-1-carboxamide
PubChem CID138058104
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC Name3-ethylsulfonyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]azetidine-1-carboxamide
SMILESCCS(=O)(=O)C1CN(C(=O)N[C@H](C)c2ccc(F)c(C)c2)C1
InChIInChI=1S/C15H21FN2O3S/c1-4-22(20,21)13-8-18(9-13)15(19)17-11(3)12-5-6-14(16)10(2)7-12/h5-7,11,13H,4,8-9H2,1-3H3,(H,17,19)/t11-/m1/s1
InChIKeyPQSFVRBKEBGYIR-LLVKDONJSA-N
XLogP2.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124004
1-[1-(4-fluoro-3-methylphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122005611
sodium cis-(1S,2R)-2-[[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylate
CID 166257915
1-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015948
(3R)-3-methylsulfonyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-1-carboxamide
CID 124727498
N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213221
ethyl 4-[[(1S)-1-(3,4-difluorophenyl)ethyl]carbamoylamino]piperidine-1-carboxylate
CID 51728637
N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 60630405
N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide
CID 97334282
4-acetyl-N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-1,4-diazepane-1-carboxamide
CID 124626621
N-[1-(4-ethylphenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63483320
(3S,4S)-1-[1-(4-methyl-3-nitrophenyl)ethylcarbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122005269

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]azetidine-1-carboxamide?
The IUPAC name of 3-ethylsulfonyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]azetidine-1-carboxamide (CID 138058104) is 3-ethylsulfonyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-ethylsulfonyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]azetidine-1-carboxamide?
The canonical SMILES for 3-ethylsulfonyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]azetidine-1-carboxamide is CCS(=O)(=O)C1CN(C(=O)N[C@H](C)c2ccc(F)c(C)c2)C1.
What is the InChIKey of 3-ethylsulfonyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]azetidine-1-carboxamide?
The InChIKey is PQSFVRBKEBGYIR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-4-22(20,21)13-8-18(9-13)15(19)17-11(3)12-5-6-14(16)10(2)7-12/h5-7,11,13H,4,8-9H2,1-3H3,(H,17,19)/t11-/m1/s1.
What are the key properties of 3-ethylsulfonyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]azetidine-1-carboxamide?
3-ethylsulfonyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]azetidine-1-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]azetidine-1-carboxamide is sourced from PubChem (CID 138058104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).