N-cyclohexyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide

C22H27FN2O4S — CID 43891299

IUPACN-cyclohexyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)NC1CCCCC1
InChIInChI=1S/C22H27FN2O4S/c1-29-20-13-12-17(23)15-21(20)30(27,28)25-19(14-16-8-4-2-5-9-16)22(26)24-18-10-6-3-7-11-18/h2,4-5,8-9,12-13,15,18-19,25H,3,6-7,10-11,14H2,1H3,(H,24,26)
InChIKeyNURHJWXTYAIFMC-UHFFFAOYSA-N
MW434.53 g/mol
LogP3.17
Rot. Bonds8

About N-cyclohexyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide

N-cyclohexyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 43891299) has the molecular formula C22H27FN2O4S and a molecular weight of 434.53 g/mol. Its IUPAC name is N-cyclohexyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID43891299
Molecular FormulaC22H27FN2O4S
Molecular Weight434.53 g/mol
Exact Mass434.17
IUPAC NameN-cyclohexyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)NC1CCCCC1
InChIInChI=1S/C22H27FN2O4S/c1-29-20-13-12-17(23)15-21(20)30(27,28)25-19(14-16-8-4-2-5-9-16)22(26)24-18-10-6-3-7-11-18/h2,4-5,8-9,12-13,15,18-19,25H,3,6-7,10-11,14H2,1H3,(H,24,26)
InChIKeyNURHJWXTYAIFMC-UHFFFAOYSA-N
XLogP3.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871149
(2S)-N-cyclooctyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28540372
(2S)-N-cyclopentyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28539687
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
CID 28542390
N-ethyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891290
(2R)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 1267668
N-cyclohexyl-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871322
(2S)-N-cyclooctyl-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28541243
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 43891365
N-(2,4-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891324
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 43891317
(2S)-N-cyclohexyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646030

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of N-cyclohexyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide (CID 43891299) is N-cyclohexyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for N-cyclohexyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for N-cyclohexyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide is COc1ccc(F)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is NURHJWXTYAIFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O4S/c1-29-20-13-12-17(23)15-21(20)30(27,28)25-19(14-16-8-4-2-5-9-16)22(26)24-18-10-6-3-7-11-18/h2,4-5,8-9,12-13,15,18-19,25H,3,6-7,10-11,14H2,1H3,(H,24,26).
What are the key properties of N-cyclohexyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide?
N-cyclohexyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 434.53 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 43891299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).