N-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-(3-methylphenyl)acetamide

C19H21FN2O3S — CID 113093287

IUPACN-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2cc(F)ccc2N(C2CC2)S(C)(=O)=O)c1
InChIInChI=1S/C19H21FN2O3S/c1-13-4-3-5-14(10-13)11-19(23)21-17-12-15(20)6-9-18(17)22(16-7-8-16)26(2,24)25/h3-6,9-10,12,16H,7-8,11H2,1-2H3,(H,21,23)
InChIKeyKYWUZGYNSMRNBR-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.24
Rot. Bonds6

About N-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-(3-methylphenyl)acetamide

N-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-(3-methylphenyl)acetamide (PubChem CID 113093287) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-(3-methylphenyl)acetamide
PubChem CID113093287
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2cc(F)ccc2N(C2CC2)S(C)(=O)=O)c1
InChIInChI=1S/C19H21FN2O3S/c1-13-4-3-5-14(10-13)11-19(23)21-17-12-15(20)6-9-18(17)22(16-7-8-16)26(2,24)25/h3-6,9-10,12,16H,7-8,11H2,1-2H3,(H,21,23)
InChIKeyKYWUZGYNSMRNBR-UHFFFAOYSA-N
XLogP3.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-2-(3-methylphenyl)acetamide
CID 113093198
N-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-methoxybenzamide
CID 113093265
N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenyl)acetamide
CID 113093104
2-(3-fluorophenyl)-N-[2-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 113093511
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066979
N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]acetamide
CID 113093569
N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3-methylbenzenesulfonamide
CID 113093650
N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)acetamide
CID 6464374
3-[cyclopropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113136268
N-(2-amino-4-methylphenyl)-2-(3-fluorophenyl)acetamide
CID 43259058
N-[5-fluoro-2-(methanesulfonamido)phenyl]-2-phenylacetamide
CID 113093344
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113065842

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-(3-methylphenyl)acetamide (CID 113093287) is N-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)Nc2cc(F)ccc2N(C2CC2)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-(3-methylphenyl)acetamide?
The InChIKey is KYWUZGYNSMRNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-13-4-3-5-14(10-13)11-19(23)21-17-12-15(20)6-9-18(17)22(16-7-8-16)26(2,24)25/h3-6,9-10,12,16H,7-8,11H2,1-2H3,(H,21,23).
What are the key properties of N-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-(3-methylphenyl)acetamide?
N-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-(3-methylphenyl)acetamide has a molecular weight of 376.45 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 113093287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).