2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)-2-phenylacetamide

C17H19N3O5S — CID 133251735

IUPAC2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)-2-phenylacetamide
SMILESCc1c(NC(=O)C(c2ccccc2)N(C)S(C)(=O)=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C17H19N3O5S/c1-12-14(10-7-11-15(12)20(22)23)18-17(21)16(19(2)26(3,24)25)13-8-5-4-6-9-13/h4-11,16H,1-3H3,(H,18,21)
InChIKeyJDELJNJFYLGECN-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.47
Rot. Bonds6

About 2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)-2-phenylacetamide

2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)-2-phenylacetamide (PubChem CID 133251735) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)-2-phenylacetamide
PubChem CID133251735
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)-2-phenylacetamide
SMILESCc1c(NC(=O)C(c2ccccc2)N(C)S(C)(=O)=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C17H19N3O5S/c1-12-14(10-7-11-15(12)20(22)23)18-17(21)16(19(2)26(3,24)25)13-8-5-4-6-9-13/h4-11,16H,1-3H3,(H,18,21)
InChIKeyJDELJNJFYLGECN-UHFFFAOYSA-N
XLogP2.47
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
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)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(2-phenylphenyl)acetamide
CID 125058384
2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide
CID 133161127
2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)benzamide
CID 51336376
(2-methyl-3-nitrophenyl)urea
CID 22416531
1-[dimethyl(nitroso)-λ4-sulfanyl]-N-(2-methyl-3-nitrophenyl)formamide
CID 87606058
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2-methyl-3-nitrophenyl)butanamide
CID 100612839
2-(3-chloro-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide
CID 132663994
2-(4-ethyl-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide
CID 132662550
(2S)-N-(4-chlorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125060901
(2R)-3-hydroxy-2-[(2-methyl-3-nitrophenyl)carbamoylamino]propanoic acid
CID 107810953
3-hydroxy-2-[(2-methyl-3-nitrophenyl)carbamoylamino]propanoic acid
CID 107810995
N-(2-methyl-3-nitrophenyl)-2-(N-methylsulfonyl-3-nitroanilino)butanamide
CID 132670706

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)-2-phenylacetamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)-2-phenylacetamide (CID 133251735) is 2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)-2-phenylacetamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)-2-phenylacetamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)-2-phenylacetamide is Cc1c(NC(=O)C(c2ccccc2)N(C)S(C)(=O)=O)cccc1[N+](=O)[O-].
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)-2-phenylacetamide?
The InChIKey is JDELJNJFYLGECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-12-14(10-7-11-15(12)20(22)23)18-17(21)16(19(2)26(3,24)25)13-8-5-4-6-9-13/h4-11,16H,1-3H3,(H,18,21).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)-2-phenylacetamide?
2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)-2-phenylacetamide has a molecular weight of 377.42 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)-2-phenylacetamide is sourced from PubChem (CID 133251735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).