N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide

C18H21FN2O4S — CID 18153166

IUPACN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1F
InChIInChI=1S/C18H21FN2O4S/c1-12(13-9-10-17(25-3)15(19)11-13)20-18(22)14-7-5-6-8-16(14)21(2)26(4,23)24/h5-12H,1-4H3,(H,20,22)
InChIKeyUEQHFKRUHGHYPB-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.72
Rot. Bonds6

About N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 18153166) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
PubChem CID18153166
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1F
InChIInChI=1S/C18H21FN2O4S/c1-12(13-9-10-17(25-3)15(19)11-13)20-18(22)14-7-5-6-8-16(14)21(2)26(4,23)24/h5-12H,1-4H3,(H,20,22)
InChIKeyUEQHFKRUHGHYPB-UHFFFAOYSA-N
XLogP2.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 99645643
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 28635604
2-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 107358477
2-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
CID 51335107
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 94612968
(2R)-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide
CID 94024950
2,4-dichloro-5-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 18275060
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
2,4-dichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 16574257
2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 17406382
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-1,2-dimethylpyrrole-3-carboxamide
CID 124628027
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 17397646

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide (CID 18153166) is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide is COc1ccc(C(C)NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1F.
What is the InChIKey of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is UEQHFKRUHGHYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-12(13-9-10-17(25-3)15(19)11-13)20-18(22)14-7-5-6-8-16(14)21(2)26(4,23)24/h5-12H,1-4H3,(H,20,22).
What are the key properties of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide?
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 380.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 18153166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).