N-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-methoxybenzamide

C18H19FN2O4S — CID 113093265

IUPACN-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(F)ccc1N(C1CC1)S(C)(=O)=O
InChIInChI=1S/C18H19FN2O4S/c1-25-17-6-4-3-5-14(17)18(22)20-15-11-12(19)7-10-16(15)21(13-8-9-13)26(2,23)24/h3-7,10-11,13H,8-9H2,1-2H3,(H,20,22)
InChIKeyFCFCHTSDCURPQY-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.02
Rot. Bonds6

About N-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-methoxybenzamide

N-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-methoxybenzamide (PubChem CID 113093265) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-methoxybenzamide
PubChem CID113093265
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC NameN-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(F)ccc1N(C1CC1)S(C)(=O)=O
InChIInChI=1S/C18H19FN2O4S/c1-25-17-6-4-3-5-14(17)18(22)20-15-11-12(19)7-10-16(15)21(13-8-9-13)26(2,23)24/h3-7,10-11,13H,8-9H2,1-2H3,(H,20,22)
InChIKeyFCFCHTSDCURPQY-UHFFFAOYSA-N
XLogP3.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-(3-methylphenyl)acetamide
CID 113093287
N-(4-fluoro-2-methoxyphenyl)-2-methylsulfonylbenzamide
CID 33283391
N-cyclohexyl-2-[(2-methoxybenzoyl)amino]-N-methylbenzamide
CID 4938981
2-[ethyl(methylsulfonyl)amino]-N-(5-fluoro-2-methylphenyl)-4,5-dimethoxybenzamide
CID 30149643
2-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1119717
N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylsulfonylbenzamide
CID 86982656
N-(5-chloro-2-fluorophenyl)-2-methoxybenzamide
CID 8759235
N-[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]-2-methoxybenzamide
CID 174430701
5-fluoro-2-methoxy-N-(2-methylphenyl)benzamide
CID 31065487
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
2-[(2-methoxybenzoyl)amino]-N-(3-methylsulfonylphenyl)benzamide
CID 90010848
N-(2-acetamidophenyl)-2-methoxybenzamide
CID 113093661

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-methoxybenzamide (CID 113093265) is N-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cc(F)ccc1N(C1CC1)S(C)(=O)=O.
What is the InChIKey of N-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-methoxybenzamide?
The InChIKey is FCFCHTSDCURPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c1-25-17-6-4-3-5-14(17)18(22)20-15-11-12(19)7-10-16(15)21(13-8-9-13)26(2,23)24/h3-7,10-11,13H,8-9H2,1-2H3,(H,20,22).
What are the key properties of N-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-methoxybenzamide?
N-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-methoxybenzamide has a molecular weight of 378.43 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-methoxybenzamide is sourced from PubChem (CID 113093265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).