N-cyclopentyl-2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide

C21H25FN2O4S — CID 2243423

IUPACN-cyclopentyl-2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O4S/c1-15-7-12-19(28-2)20(13-15)29(26,27)24(18-10-8-16(22)9-11-18)14-21(25)23-17-5-3-4-6-17/h7-13,17H,3-6,14H2,1-2H3,(H,23,25)
InChIKeyBAGLALBCMURTDN-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.40
Rot. Bonds7

About N-cyclopentyl-2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide

N-cyclopentyl-2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide (PubChem CID 2243423) has the molecular formula C21H25FN2O4S and a molecular weight of 420.51 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
PubChem CID2243423
Molecular FormulaC21H25FN2O4S
Molecular Weight420.51 g/mol
Exact Mass420.15
IUPAC NameN-cyclopentyl-2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O4S/c1-15-7-12-19(28-2)20(13-15)29(26,27)24(18-10-8-16(22)9-11-18)14-21(25)23-17-5-3-4-6-17/h7-13,17H,3-6,14H2,1-2H3,(H,23,25)
InChIKeyBAGLALBCMURTDN-UHFFFAOYSA-N
XLogP3.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 1109471
N-cyclopentyl-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1102315
2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 2988323
N-cyclopentyl-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1120603
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-propan-2-ylacetamide
CID 126395330
N-(2,3-dimethylphenyl)-2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 5135255
N-(3-acetylphenyl)-2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 2238416
2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,5-difluorophenyl)acetamide
CID 28547422
N-cyclohexyl-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172207
2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28548010
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-cyclopentylacetamide
CID 1263762
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetic acid
CID 838667

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-cyclopentyl-2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide (CID 2243423) is N-cyclopentyl-2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-cyclopentyl-2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide is COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC1CCCC1)c1ccc(F)cc1.
What is the InChIKey of N-cyclopentyl-2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is BAGLALBCMURTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4S/c1-15-7-12-19(28-2)20(13-15)29(26,27)24(18-10-8-16(22)9-11-18)14-21(25)23-17-5-3-4-6-17/h7-13,17H,3-6,14H2,1-2H3,(H,23,25).
What are the key properties of N-cyclopentyl-2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide?
N-cyclopentyl-2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 420.51 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 2243423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).