2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide

C22H27FN2O4S — CID 100791045

IUPAC2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
SMILESCOc1cccc(N(C)C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C22H27FN2O4S/c1-24(19-9-6-10-20(15-19)29-2)22(26)16-25(18-7-4-3-5-8-18)30(27,28)21-13-11-17(23)12-14-21/h6,9-15,18H,3-5,7-8,16H2,1-2H3
InChIKeyXRAQLIRQDAVHFU-UHFFFAOYSA-N
MW434.53 g/mol
LogP3.82
Rot. Bonds7

About 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide

2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide (PubChem CID 100791045) has the molecular formula C22H27FN2O4S and a molecular weight of 434.53 g/mol. Its IUPAC name is 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
PubChem CID100791045
Molecular FormulaC22H27FN2O4S
Molecular Weight434.53 g/mol
Exact Mass434.17
IUPAC Name2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
SMILESCOc1cccc(N(C)C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C22H27FN2O4S/c1-24(19-9-6-10-20(15-19)29-2)22(26)16-25(18-7-4-3-5-8-18)30(27,28)21-13-11-17(23)12-14-21/h6,9-15,18H,3-5,7-8,16H2,1-2H3
InChIKeyXRAQLIRQDAVHFU-UHFFFAOYSA-N
XLogP3.82
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100796896
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100795184
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43871755
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 1057735
(3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 100800356
ethyl 2-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)acetate
CID 50891577
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 1041727
2-[cyclohexyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
CID 10807240
2-[cyclohexyl-(4-methoxyphenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 1057743
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100794413
N-(3-chlorophenyl)-2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 987644
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-cyclohexyl-N-methylacetamide
CID 46764464

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide?
The IUPAC name of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide (CID 100791045) is 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide is COc1cccc(N(C)C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide?
The InChIKey is XRAQLIRQDAVHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O4S/c1-24(19-9-6-10-20(15-19)29-2)22(26)16-25(18-7-4-3-5-8-18)30(27,28)21-13-11-17(23)12-14-21/h6,9-15,18H,3-5,7-8,16H2,1-2H3.
What are the key properties of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide?
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide has a molecular weight of 434.53 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 100791045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).