2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide

C16H17N3O5S — CID 26217725

IUPAC2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H17N3O5S/c1-12-5-3-6-13(9-12)17-16(20)11-18(2)25(23,24)15-8-4-7-14(10-15)19(21)22/h3-10H,11H2,1-2H3,(H,17,20)
InChIKeyMUIGJBFQKYNIDP-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.16
Rot. Bonds6

About 2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide

2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide (PubChem CID 26217725) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
PubChem CID26217725
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H17N3O5S/c1-12-5-3-6-13(9-12)17-16(20)11-18(2)25(23,24)15-8-4-7-14(10-15)19(21)22/h3-10H,11H2,1-2H3,(H,17,20)
InChIKeyMUIGJBFQKYNIDP-UHFFFAOYSA-N
XLogP2.16
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.16
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

2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 26217769
N-(2-chloro-4-methylphenyl)-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide
CID 112788630
2-[ethylsulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide
CID 99818120
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 26217762
2-(3-methyl-N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide
CID 1311836
N-(3-methylphenyl)-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide
CID 22518738
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(3-nitrophenyl)acetamide
CID 1252853
N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 27055361
N-benzyl-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide
CID 26217755
2-[ethylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide
CID 99818114
2-(4-methylphenyl)sulfonyl-N-(3-nitrophenyl)acetamide
CID 7543832
N-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide
CID 38024472

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide (CID 26217725) is 2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of 2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide?
The InChIKey is MUIGJBFQKYNIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-12-5-3-6-13(9-12)17-16(20)11-18(2)25(23,24)15-8-4-7-14(10-15)19(21)22/h3-10H,11H2,1-2H3,(H,17,20).
What are the key properties of 2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide?
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide has a molecular weight of 363.40 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 26217725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).