2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pentanamide

C25H35N3O4S — CID 24624985

IUPAC2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pentanamide
SMILESCOc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NCC(c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C25H35N3O4S/c1-19(2)17-23(27-33(30,31)22-13-11-21(32-3)12-14-22)25(29)26-18-24(28-15-7-8-16-28)20-9-5-4-6-10-20/h4-6,9-14,19,23-24,27H,7-8,15-18H2,1-3H3,(H,26,29)
InChIKeyPENDUFKLAYKLHK-UHFFFAOYSA-N
MW473.64 g/mol
LogP3.34
Rot. Bonds11

About 2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pentanamide

2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pentanamide (PubChem CID 24624985) has the molecular formula C25H35N3O4S and a molecular weight of 473.64 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pentanamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pentanamide
PubChem CID24624985
Molecular FormulaC25H35N3O4S
Molecular Weight473.64 g/mol
Exact Mass473.23
IUPAC Name2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pentanamide
SMILESCOc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NCC(c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C25H35N3O4S/c1-19(2)17-23(27-33(30,31)22-13-11-21(32-3)12-14-22)25(29)26-18-24(28-15-7-8-16-28)20-9-5-4-6-10-20/h4-6,9-14,19,23-24,27H,7-8,15-18H2,1-3H3,(H,26,29)
InChIKeyPENDUFKLAYKLHK-UHFFFAOYSA-N
XLogP3.34
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.64
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 24980638
2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pentanamide
CID 24551017
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 24544258
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 25161941
3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119829693
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylpropyl)pentanamide
CID 43010794
4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
CID 46764694
N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 43002336
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984976
(2S)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
CID 55937120
4-(2-methoxyethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 42929558
4-methoxy-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzenesulfonamide
CID 110285725

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pentanamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pentanamide (CID 24624985) is 2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pentanamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pentanamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pentanamide is COc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NCC(c2ccccc2)N2CCCC2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pentanamide?
The InChIKey is PENDUFKLAYKLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O4S/c1-19(2)17-23(27-33(30,31)22-13-11-21(32-3)12-14-22)25(29)26-18-24(28-15-7-8-16-28)20-9-5-4-6-10-20/h4-6,9-14,19,23-24,27H,7-8,15-18H2,1-3H3,(H,26,29).
What are the key properties of 2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pentanamide?
2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pentanamide has a molecular weight of 473.64 g/mol, XLogP of 3.34, 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-phenyl-2-pyrrolidin-1-ylethyl)pentanamide is sourced from PubChem (CID 24624985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).