N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-1-methylimidazole-2-carboxamide

C14H16FN3O3S — CID 71989210

IUPACN-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-1-methylimidazole-2-carboxamide
SMILESCC(NC(=O)c1nccn1C)c1ccc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C14H16FN3O3S/c1-9(17-14(19)13-16-6-7-18(13)2)10-4-5-12(11(15)8-10)22(3,20)21/h4-9H,1-3H3,(H,17,19)
InChIKeyYDPBCWGDCVTWIF-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.45
Rot. Bonds4

About N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-1-methylimidazole-2-carboxamide

N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-1-methylimidazole-2-carboxamide (PubChem CID 71989210) has the molecular formula C14H16FN3O3S and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-1-methylimidazole-2-carboxamide
PubChem CID71989210
Molecular FormulaC14H16FN3O3S
Molecular Weight325.37 g/mol
Exact Mass325.09
IUPAC NameN-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-1-methylimidazole-2-carboxamide
SMILESCC(NC(=O)c1nccn1C)c1ccc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C14H16FN3O3S/c1-9(17-14(19)13-16-6-7-18(13)2)10-4-5-12(11(15)8-10)22(3,20)21/h4-9H,1-3H3,(H,17,19)
InChIKeyYDPBCWGDCVTWIF-UHFFFAOYSA-N
XLogP1.45
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-methylbutanamide
CID 119333678
(2S)-2-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3,3-dimethylbutanamide
CID 119801231
3,3-diethoxy-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]propanamide
CID 102562820
3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]butanamide;hydrochloride
CID 119801244
N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120934746
2-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-methylpentanamide
CID 119801243
3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119801225
4-[1-(3-fluoro-4-methylsulfonylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673846
1-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]cyclohexane-1-carboxamide
CID 119333676
3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-phenylpropanamide
CID 119951982
N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]pyrazolidine-3-carboxamide
CID 134068376
1-(cyclobutylmethyl)-3-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]urea
CID 71990646

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-1-methylimidazole-2-carboxamide?
The IUPAC name of N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-1-methylimidazole-2-carboxamide (CID 71989210) is N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-1-methylimidazole-2-carboxamide is CC(NC(=O)c1nccn1C)c1ccc(S(C)(=O)=O)c(F)c1.
What is the InChIKey of N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-1-methylimidazole-2-carboxamide?
The InChIKey is YDPBCWGDCVTWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3S/c1-9(17-14(19)13-16-6-7-18(13)2)10-4-5-12(11(15)8-10)22(3,20)21/h4-9H,1-3H3,(H,17,19).
What are the key properties of N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-1-methylimidazole-2-carboxamide?
N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-1-methylimidazole-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 71989210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).