(2S)-2-[(4-aminophenyl)sulfonyl-methylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide

C24H28N4O3S — CID 15906447

IUPAC(2S)-2-[(4-aminophenyl)sulfonyl-methylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESCN(CCc1ccccn1)C(=O)[C@H](Cc1ccccc1)N(C)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C24H28N4O3S/c1-27(17-15-21-10-6-7-16-26-21)24(29)23(18-19-8-4-3-5-9-19)28(2)32(30,31)22-13-11-20(25)12-14-22/h3-14,16,23H,15,17-18,25H2,1-2H3/t23-/m0/s1
InChIKeyNSDIPPVJTFHASW-QHCPKHFHSA-N
MW452.58 g/mol
LogP2.60
Rot. Bonds9

About (2S)-2-[(4-aminophenyl)sulfonyl-methylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide

(2S)-2-[(4-aminophenyl)sulfonyl-methylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 15906447) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is (2S)-2-[(4-aminophenyl)sulfonyl-methylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-aminophenyl)sulfonyl-methylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID15906447
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Name(2S)-2-[(4-aminophenyl)sulfonyl-methylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESCN(CCc1ccccn1)C(=O)[C@H](Cc1ccccc1)N(C)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C24H28N4O3S/c1-27(17-15-21-10-6-7-16-26-21)24(29)23(18-19-8-4-3-5-9-19)28(2)32(30,31)22-13-11-20(25)12-14-22/h3-14,16,23H,15,17-18,25H2,1-2H3/t23-/m0/s1
InChIKeyNSDIPPVJTFHASW-QHCPKHFHSA-N
XLogP2.60
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[amino-(4-nitrophenyl)sulfonylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
CID 20674768
methyl (2R)-2-[methyl(pyridin-2-ylmethylsulfonyl)amino]-3-phenylpropanoate
CID 167889643
2-benzyl-4-[methyl(2-pyridin-2-ylethyl)amino]-4-oxobutanoic acid
CID 19785085
2-amino-3-hydroxy-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 115180171
(2R)-N-methyl-2-[methyl-[(2R)-2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
CID 20587656
2-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 106590813
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
CID 20865797
3-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43309212
ethyl 2-benzyl-3-[2-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]sulfonylpropanoate
CID 57004779
2-(4-aminophenyl)-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]acetamide;dihydrochloride
CID 119873300
3-amino-3-hydroxyimino-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 76926661

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-aminophenyl)sulfonyl-methylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of (2S)-2-[(4-aminophenyl)sulfonyl-methylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide (CID 15906447) is (2S)-2-[(4-aminophenyl)sulfonyl-methylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for (2S)-2-[(4-aminophenyl)sulfonyl-methylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for (2S)-2-[(4-aminophenyl)sulfonyl-methylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide is CN(CCc1ccccn1)C(=O)[C@H](Cc1ccccc1)N(C)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of (2S)-2-[(4-aminophenyl)sulfonyl-methylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is NSDIPPVJTFHASW-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-27(17-15-21-10-6-7-16-26-21)24(29)23(18-19-8-4-3-5-9-19)28(2)32(30,31)22-13-11-20(25)12-14-22/h3-14,16,23H,15,17-18,25H2,1-2H3/t23-/m0/s1.
What are the key properties of (2S)-2-[(4-aminophenyl)sulfonyl-methylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide?
(2S)-2-[(4-aminophenyl)sulfonyl-methylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 452.58 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-aminophenyl)sulfonyl-methylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 15906447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).