N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide

C18H21N3O6S — CID 92673619

IUPACN-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H21N3O6S/c1-12(2)20-28(25,26)14-8-9-17(27-3)15(11-14)19-18(22)10-13-6-4-5-7-16(13)21(23)24/h4-9,11-12,20H,10H2,1-3H3,(H,19,22)
InChIKeyCELZPMHSQMJOAV-UHFFFAOYSA-N
MW407.45 g/mol
LogP2.47
Rot. Bonds8

About N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide

N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide (PubChem CID 92673619) has the molecular formula C18H21N3O6S and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide
PubChem CID92673619
Molecular FormulaC18H21N3O6S
Molecular Weight407.45 g/mol
Exact Mass407.12
IUPAC NameN-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H21N3O6S/c1-12(2)20-28(25,26)14-8-9-17(27-3)15(11-14)19-18(22)10-13-6-4-5-7-16(13)21(23)24/h4-9,11-12,20H,10H2,1-3H3,(H,19,22)
InChIKeyCELZPMHSQMJOAV-UHFFFAOYSA-N
XLogP2.47
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2-chlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 100632426
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-3-phenylpropanamide
CID 92681993
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-nitrophenyl)acetamide
CID 1351291
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43902177
2-(2-methoxyphenyl)-N-(2-nitrophenyl)acetamide
CID 3253389
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 92671719
2-(2-methoxy-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 92684341
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-phenylethyl)benzamide
CID 46764322
(2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-phenylsulfanylpropanamide
CID 92679928
3-(2,6-dichlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 100602358
N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-(2-nitrophenyl)acetamide
CID 42996302
N-(2-methyl-3-nitrophenyl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 126395885

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide (CID 92673619) is N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide is COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide?
The InChIKey is CELZPMHSQMJOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6S/c1-12(2)20-28(25,26)14-8-9-17(27-3)15(11-14)19-18(22)10-13-6-4-5-7-16(13)21(23)24/h4-9,11-12,20H,10H2,1-3H3,(H,19,22).
What are the key properties of N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide?
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide has a molecular weight of 407.45 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 92673619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).