2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pentanamide

C26H37N3O4S — CID 24551017

IUPAC2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pentanamide
SMILESCOc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NCc2ccccc2CN2CCCCC2)cc1
InChIInChI=1S/C26H37N3O4S/c1-20(2)17-25(28-34(31,32)24-13-11-23(33-3)12-14-24)26(30)27-18-21-9-5-6-10-22(21)19-29-15-7-4-8-16-29/h5-6,9-14,20,25,28H,4,7-8,15-19H2,1-3H3,(H,27,30)
InChIKeyJDAPKUWKKMJWBY-UHFFFAOYSA-N
MW487.67 g/mol
LogP3.69
Rot. Bonds11

About 2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pentanamide

2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pentanamide (PubChem CID 24551017) has the molecular formula C26H37N3O4S and a molecular weight of 487.67 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pentanamide
PubChem CID24551017
Molecular FormulaC26H37N3O4S
Molecular Weight487.67 g/mol
Exact Mass487.25
IUPAC Name2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pentanamide
SMILESCOc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NCc2ccccc2CN2CCCCC2)cc1
InChIInChI=1S/C26H37N3O4S/c1-20(2)17-25(28-34(31,32)24-13-11-23(33-3)12-14-24)26(30)27-18-21-9-5-6-10-22(21)19-29-15-7-4-8-16-29/h5-6,9-14,20,25,28H,4,7-8,15-19H2,1-3H3,(H,27,30)
InChIKeyJDAPKUWKKMJWBY-UHFFFAOYSA-N
XLogP3.69
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.67
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pentanamide
CID 24624985
2-(4-methoxyphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 51327763
N-[(2,5-dimethoxyphenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 46541023
2-(4-methoxy-N-methylsulfonylanilino)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133166185
2-(4-methoxyphenoxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8969090
2-(4-methoxyphenyl)sulfanyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9069058
N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 43002336
2-methyl-N-[4-methyl-1-oxo-1-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pentan-2-yl]benzamide
CID 43017874
4-methoxy-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzenesulfonamide
CID 110285725
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133166274
(E)-3-(4-methoxyphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 38740120
2-phenoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 51237843

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pentanamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pentanamide (CID 24551017) is 2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pentanamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pentanamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pentanamide is COc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NCc2ccccc2CN2CCCCC2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pentanamide?
The InChIKey is JDAPKUWKKMJWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O4S/c1-20(2)17-25(28-34(31,32)24-13-11-23(33-3)12-14-24)26(30)27-18-21-9-5-6-10-22(21)19-29-15-7-4-8-16-29/h5-6,9-14,20,25,28H,4,7-8,15-19H2,1-3H3,(H,27,30).
What are the key properties of 2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pentanamide?
2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pentanamide has a molecular weight of 487.67 g/mol, XLogP of 3.69, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pentanamide is sourced from PubChem (CID 24551017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).