N-[5-(4-fluoro-3-methylbenzoyl)-2-methoxyphenyl]-3-methylsulfonylpropanamide

C19H20FNO5S — CID 110613477

IUPACN-[5-(4-fluoro-3-methylbenzoyl)-2-methoxyphenyl]-3-methylsulfonylpropanamide
SMILESCOc1ccc(C(=O)c2ccc(F)c(C)c2)cc1NC(=O)CCS(C)(=O)=O
InChIInChI=1S/C19H20FNO5S/c1-12-10-13(4-6-15(12)20)19(23)14-5-7-17(26-2)16(11-14)21-18(22)8-9-27(3,24)25/h4-7,10-11H,8-9H2,1-3H3,(H,21,22)
InChIKeyKUQUUKSNFWGDCC-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.75
Rot. Bonds7

About N-[5-(4-fluoro-3-methylbenzoyl)-2-methoxyphenyl]-3-methylsulfonylpropanamide

N-[5-(4-fluoro-3-methylbenzoyl)-2-methoxyphenyl]-3-methylsulfonylpropanamide (PubChem CID 110613477) has the molecular formula C19H20FNO5S and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[5-(4-fluoro-3-methylbenzoyl)-2-methoxyphenyl]-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[5-(4-fluoro-3-methylbenzoyl)-2-methoxyphenyl]-3-methylsulfonylpropanamide
PubChem CID110613477
Molecular FormulaC19H20FNO5S
Molecular Weight393.44 g/mol
Exact Mass393.10
IUPAC NameN-[5-(4-fluoro-3-methylbenzoyl)-2-methoxyphenyl]-3-methylsulfonylpropanamide
SMILESCOc1ccc(C(=O)c2ccc(F)c(C)c2)cc1NC(=O)CCS(C)(=O)=O
InChIInChI=1S/C19H20FNO5S/c1-12-10-13(4-6-15(12)20)19(23)14-5-7-17(26-2)16(11-14)21-18(22)8-9-27(3,24)25/h4-7,10-11H,8-9H2,1-3H3,(H,21,22)
InChIKeyKUQUUKSNFWGDCC-UHFFFAOYSA-N
XLogP2.75
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluoro-3-methylphenyl)-[4-methoxy-3-(propan-2-ylsulfamoylamino)phenyl]methanone
CID 110613482
N-(5-acetyl-2-methylphenyl)-3-methylsulfonylpropanamide
CID 110612634
N-(5-amino-2-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60884523
4-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 26709895
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 81283370
N-(2,5-dimethoxyphenyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]acetamide
CID 112999196
(4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209380
methyl 4-(5-fluoro-2-methoxyanilino)-4-oxobutanoate
CID 110776545
(5-fluoro-2-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209421
N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 51159707
3-(butanoylamino)-4-methoxybenzamide
CID 47243869
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluoro-3-methylbenzoyl)-2-methoxyphenyl]-3-methylsulfonylpropanamide?
The IUPAC name of N-[5-(4-fluoro-3-methylbenzoyl)-2-methoxyphenyl]-3-methylsulfonylpropanamide (CID 110613477) is N-[5-(4-fluoro-3-methylbenzoyl)-2-methoxyphenyl]-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[5-(4-fluoro-3-methylbenzoyl)-2-methoxyphenyl]-3-methylsulfonylpropanamide?
The canonical SMILES for N-[5-(4-fluoro-3-methylbenzoyl)-2-methoxyphenyl]-3-methylsulfonylpropanamide is COc1ccc(C(=O)c2ccc(F)c(C)c2)cc1NC(=O)CCS(C)(=O)=O.
What is the InChIKey of N-[5-(4-fluoro-3-methylbenzoyl)-2-methoxyphenyl]-3-methylsulfonylpropanamide?
The InChIKey is KUQUUKSNFWGDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO5S/c1-12-10-13(4-6-15(12)20)19(23)14-5-7-17(26-2)16(11-14)21-18(22)8-9-27(3,24)25/h4-7,10-11H,8-9H2,1-3H3,(H,21,22).
What are the key properties of N-[5-(4-fluoro-3-methylbenzoyl)-2-methoxyphenyl]-3-methylsulfonylpropanamide?
N-[5-(4-fluoro-3-methylbenzoyl)-2-methoxyphenyl]-3-methylsulfonylpropanamide has a molecular weight of 393.44 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluoro-3-methylbenzoyl)-2-methoxyphenyl]-3-methylsulfonylpropanamide is sourced from PubChem (CID 110613477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).