(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)pentanamide

C19H23N3O5S — CID 9411090

IUPAC(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)pentanamide
SMILESCc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H23N3O5S/c1-13(2)11-18(21-28(26,27)17-9-7-14(3)8-10-17)19(23)20-15-5-4-6-16(12-15)22(24)25/h4-10,12-13,18,21H,11H2,1-3H3,(H,20,23)/t18-/m1/s1
InChIKeyHCAWWQODZSSZLJ-GOSISDBHSA-N
MW405.48 g/mol
LogP3.23
Rot. Bonds8

About (2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)pentanamide

(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)pentanamide (PubChem CID 9411090) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)pentanamide.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)pentanamide
PubChem CID9411090
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)pentanamide
SMILESCc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H23N3O5S/c1-13(2)11-18(21-28(26,27)17-9-7-14(3)8-10-17)19(23)20-15-5-4-6-16(12-15)22(24)25/h4-10,12-13,18,21H,11H2,1-3H3,(H,20,23)/t18-/m1/s1
InChIKeyHCAWWQODZSSZLJ-GOSISDBHSA-N
XLogP3.23
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)pentanamide
CID 26592832
4-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide
CID 43007121
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentanamide
CID 60580157
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(3-nitrophenyl)-3-phenylpropanamide
CID 28541083
2-[(4-fluorophenyl)sulfonylamino]-N-(3-nitrophenyl)-3-phenylpropanamide
CID 43871262
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)pentanamide
CID 43016745
methyl 4-[[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzoate
CID 7965936
2-(4-methylphenyl)sulfonyl-N-(3-nitrophenyl)acetamide
CID 7543832
4-methyl-2-[(3-nitrophenyl)carbamoylamino]pentanoic acid
CID 43096922
(2S)-N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide
CID 8572325
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide
CID 18104806
(2R)-N-(2,4-difluorophenyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 7973013

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)pentanamide?
The IUPAC name of (2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)pentanamide (CID 9411090) is (2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)pentanamide.
What is the SMILES notation for (2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)pentanamide?
The canonical SMILES for (2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)pentanamide is Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of (2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)pentanamide?
The InChIKey is HCAWWQODZSSZLJ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-13(2)11-18(21-28(26,27)17-9-7-14(3)8-10-17)19(23)20-15-5-4-6-16(12-15)22(24)25/h4-10,12-13,18,21H,11H2,1-3H3,(H,20,23)/t18-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)pentanamide?
(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)pentanamide has a molecular weight of 405.48 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)pentanamide is sourced from PubChem (CID 9411090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).