N-cycloheptyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide

C21H25FN2O3S — CID 2982325

IUPACN-cycloheptyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NC1CCCCCC1
InChIInChI=1S/C21H25FN2O3S/c22-17-12-14-20(15-13-17)28(26,27)24(19-10-6-3-7-11-19)16-21(25)23-18-8-4-1-2-5-9-18/h3,6-7,10-15,18H,1-2,4-5,8-9,16H2,(H,23,25)
InChIKeyHCASWGOVHVGLIN-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.86
Rot. Bonds6

About N-cycloheptyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide

N-cycloheptyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide (PubChem CID 2982325) has the molecular formula C21H25FN2O3S and a molecular weight of 404.51 g/mol. Its IUPAC name is N-cycloheptyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
PubChem CID2982325
Molecular FormulaC21H25FN2O3S
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC NameN-cycloheptyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NC1CCCCCC1
InChIInChI=1S/C21H25FN2O3S/c22-17-12-14-20(15-13-17)28(26,27)24(19-10-6-3-7-11-19)16-21(25)23-18-8-4-1-2-5-9-18/h3,6-7,10-15,18H,1-2,4-5,8-9,16H2,(H,23,25)
InChIKeyHCASWGOVHVGLIN-UHFFFAOYSA-N
XLogP3.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)anilino]-N-cyclohexylacetamide
CID 555477
N-cyclopentyl-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 1109471
N-cyclopentyl-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1102315
N-cyclohexyl-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1100054
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-cycloheptylacetamide
CID 1320768
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide
CID 11897876
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-cyclopentylacetamide
CID 2883874
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-cyclohexylacetamide
CID 1141877
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-cyclohexylacetamide
CID 1106221
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclopentylacetamide
CID 51345206
N-cycloheptyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 46364516
2-(N-(4-fluorophenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 4258706

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide?
The IUPAC name of N-cycloheptyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide (CID 2982325) is N-cycloheptyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-cycloheptyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide is O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide?
The InChIKey is HCASWGOVHVGLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3S/c22-17-12-14-20(15-13-17)28(26,27)24(19-10-6-3-7-11-19)16-21(25)23-18-8-4-1-2-5-9-18/h3,6-7,10-15,18H,1-2,4-5,8-9,16H2,(H,23,25).
What are the key properties of N-cycloheptyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide?
N-cycloheptyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide has a molecular weight of 404.51 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 2982325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).