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

C20H26N2O3S — CID 9336999

IUPAC(2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
SMILESCc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-15(2)13-19(20(23)21-14-17-7-5-4-6-8-17)22-26(24,25)18-11-9-16(3)10-12-18/h4-12,15,19,22H,13-14H2,1-3H3,(H,21,23)/t19-/m1/s1
InChIKeyILPFFQXGWFNZQJ-LJQANCHMSA-N
MW374.51 g/mol
LogP3.00
Rot. Bonds8

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

(2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide (PubChem CID 9336999) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is (2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
PubChem CID9336999
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name(2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
SMILESCc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-15(2)13-19(20(23)21-14-17-7-5-4-6-8-17)22-26(24,25)18-11-9-16(3)10-12-18/h4-12,15,19,22H,13-14H2,1-3H3,(H,21,23)/t19-/m1/s1
InChIKeyILPFFQXGWFNZQJ-LJQANCHMSA-N
XLogP3.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylpropyl)pentanamide
CID 43010794
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]pentanamide
CID 55748591
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
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide
CID 18104806
(2S)-N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 41374144
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 3643187
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-phenoxypropyl)pentanamide
CID 55431403
benzyl (2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
CID 12819533
2-[(4-methylphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 3578188
4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]pentanamide
CID 20864825
(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 8897361

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The IUPAC name of (2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide (CID 9336999) is (2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide.
What is the SMILES notation for (2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The canonical SMILES for (2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide is Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NCc2ccccc2)cc1.
What is the InChIKey of (2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The InChIKey is ILPFFQXGWFNZQJ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15(2)13-19(20(23)21-14-17-7-5-4-6-8-17)22-26(24,25)18-11-9-16(3)10-12-18/h4-12,15,19,22H,13-14H2,1-3H3,(H,21,23)/t19-/m1/s1.
What are the key properties of (2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
(2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide has a molecular weight of 374.51 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide is sourced from PubChem (CID 9336999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).