2-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-4-ylmethylamino)acetamide

C21H27N3O4S — CID 67556449

IUPAC2-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-4-ylmethylamino)acetamide
SMILESCOc1ccc(S(=O)(=O)C(NCc2ccncc2)(C(N)=O)C2CCCCC2)cc1
InChIInChI=1S/C21H27N3O4S/c1-28-18-7-9-19(10-8-18)29(26,27)21(20(22)25,17-5-3-2-4-6-17)24-15-16-11-13-23-14-12-16/h7-14,17,24H,2-6,15H2,1H3,(H2,22,25)
InChIKeyGKCXCYWCUMYIPX-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.42
Rot. Bonds8

About 2-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-4-ylmethylamino)acetamide

2-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-4-ylmethylamino)acetamide (PubChem CID 67556449) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-4-ylmethylamino)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-4-ylmethylamino)acetamide
PubChem CID67556449
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name2-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-4-ylmethylamino)acetamide
SMILESCOc1ccc(S(=O)(=O)C(NCc2ccncc2)(C(N)=O)C2CCCCC2)cc1
InChIInChI=1S/C21H27N3O4S/c1-28-18-7-9-19(10-8-18)29(26,27)21(20(22)25,17-5-3-2-4-6-17)24-15-16-11-13-23-14-12-16/h7-14,17,24H,2-6,15H2,1H3,(H2,22,25)
InChIKeyGKCXCYWCUMYIPX-UHFFFAOYSA-N
XLogP2.42
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-cyclohexyl-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 22860040
methyl 2-(benzylamino)-2-cyclohexylpropanoate
CID 63320778
2-[(4-methoxyphenyl)methylamino]-2-methylpropanamide
CID 61212921
2-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3-pyridin-3-ylpropanamide
CID 10113667
2-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 10971832
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-(oxan-2-yl)acetamide
CID 19036044
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide
CID 156593877
(2R,3R)-1-(4-methoxyphenyl)sulfonyl-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 124799679
methyl 2-(pyridin-4-ylmethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342294
methyl (2S)-2-(pyridin-4-ylmethylamino)propanoate
CID 43230288
(2R)-N-hydroxy-2-(4-methoxycyclohexyl)-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide
CID 18661090

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-4-ylmethylamino)acetamide?
The IUPAC name of 2-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-4-ylmethylamino)acetamide (CID 67556449) is 2-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-4-ylmethylamino)acetamide.
What is the SMILES notation for 2-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-4-ylmethylamino)acetamide?
The canonical SMILES for 2-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-4-ylmethylamino)acetamide is COc1ccc(S(=O)(=O)C(NCc2ccncc2)(C(N)=O)C2CCCCC2)cc1.
What is the InChIKey of 2-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-4-ylmethylamino)acetamide?
The InChIKey is GKCXCYWCUMYIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-28-18-7-9-19(10-8-18)29(26,27)21(20(22)25,17-5-3-2-4-6-17)24-15-16-11-13-23-14-12-16/h7-14,17,24H,2-6,15H2,1H3,(H2,22,25).
What are the key properties of 2-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-4-ylmethylamino)acetamide?
2-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-4-ylmethylamino)acetamide has a molecular weight of 417.53 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-4-ylmethylamino)acetamide is sourced from PubChem (CID 67556449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).