N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)pentanamide

C20H27N3O3S — CID 60559293

IUPACN,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)pentanamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)N(C)Cc2ccccn2)cc1
InChIInChI=1S/C20H27N3O3S/c1-15(2)13-19(20(24)23(4)14-17-7-5-6-12-21-17)22-27(25,26)18-10-8-16(3)9-11-18/h5-12,15,19,22H,13-14H2,1-4H3
InChIKeyUUNRGQJAPYITCA-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.74
Rot. Bonds8

About N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)pentanamide

N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)pentanamide (PubChem CID 60559293) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)pentanamide.

Molecular Properties

Compound NameN,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)pentanamide
PubChem CID60559293
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)pentanamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)N(C)Cc2ccccn2)cc1
InChIInChI=1S/C20H27N3O3S/c1-15(2)13-19(20(24)23(4)14-17-7-5-6-12-21-17)22-27(25,26)18-10-8-16(3)9-11-18/h5-12,15,19,22H,13-14H2,1-4H3
InChIKeyUUNRGQJAPYITCA-UHFFFAOYSA-N
XLogP2.74
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]pentanamide
CID 51336511
pyridin-2-ylmethyl (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate
CID 43008735
(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 8897361
N-[2-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 60571425
N,N,4-trimethyl-2-(pyridin-2-ylmethylamino)pentanamide
CID 43675023
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylpropyl)pentanamide
CID 43010794
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide
CID 18104806
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-phenoxypropyl)pentanamide
CID 55431403
benzyl (2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
CID 12819533
(2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 9336999
(2S)-4-hydroxy-N,N-dimethyl-2-[(4-methylphenyl)sulfonylamino]-4-phenylbutanamide
CID 23257276
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)pentanamide?
The IUPAC name of N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)pentanamide (CID 60559293) is N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)pentanamide.
What is the SMILES notation for N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)pentanamide?
The canonical SMILES for N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)pentanamide is Cc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)N(C)Cc2ccccn2)cc1.
What is the InChIKey of N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)pentanamide?
The InChIKey is UUNRGQJAPYITCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-15(2)13-19(20(24)23(4)14-17-7-5-6-12-21-17)22-27(25,26)18-10-8-16(3)9-11-18/h5-12,15,19,22H,13-14H2,1-4H3.
What are the key properties of N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)pentanamide?
N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)pentanamide has a molecular weight of 389.52 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)pentanamide is sourced from PubChem (CID 60559293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).