4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylpropyl)pentanamide

C22H30N2O3S — CID 43010794

IUPAC4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylpropyl)pentanamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NCC(C)c2ccccc2)cc1
InChIInChI=1S/C22H30N2O3S/c1-16(2)14-21(24-28(26,27)20-12-10-17(3)11-13-20)22(25)23-15-18(4)19-8-6-5-7-9-19/h5-13,16,18,21,24H,14-15H2,1-4H3,(H,23,25)
InChIKeyMZCUEESXFKJFLH-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.61
Rot. Bonds9

About 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylpropyl)pentanamide

4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylpropyl)pentanamide (PubChem CID 43010794) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylpropyl)pentanamide.

Molecular Properties

Compound Name4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylpropyl)pentanamide
PubChem CID43010794
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC Name4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylpropyl)pentanamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NCC(C)c2ccccc2)cc1
InChIInChI=1S/C22H30N2O3S/c1-16(2)14-21(24-28(26,27)20-12-10-17(3)11-13-20)22(25)23-15-18(4)19-8-6-5-7-9-19/h5-13,16,18,21,24H,14-15H2,1-4H3,(H,23,25)
InChIKeyMZCUEESXFKJFLH-UHFFFAOYSA-N
XLogP3.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 9336999
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide
CID 18104806
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-phenoxypropyl)pentanamide
CID 55431403
2-[(4-methylphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 3578188
benzyl 2-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]acetate
CID 55350464
(2S)-2-[[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]-3-phenylpropanoic acid
CID 67632611
(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 8897361
benzyl (2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
CID 12819533
2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pentanamide
CID 24624985
methyl 4-[[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzoate
CID 7965936
(2S)-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 51857607
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 24980638

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylpropyl)pentanamide?
The IUPAC name of 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylpropyl)pentanamide (CID 43010794) is 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylpropyl)pentanamide.
What is the SMILES notation for 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylpropyl)pentanamide?
The canonical SMILES for 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylpropyl)pentanamide is Cc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NCC(C)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylpropyl)pentanamide?
The InChIKey is MZCUEESXFKJFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-16(2)14-21(24-28(26,27)20-12-10-17(3)11-13-20)22(25)23-15-18(4)19-8-6-5-7-9-19/h5-13,16,18,21,24H,14-15H2,1-4H3,(H,23,25).
What are the key properties of 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylpropyl)pentanamide?
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylpropyl)pentanamide has a molecular weight of 402.56 g/mol, XLogP of 3.61, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylpropyl)pentanamide is sourced from PubChem (CID 43010794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).