N-[2-methyl-5-(methylsulfamoyl)phenyl]-1-(4-nitrophenyl)cyclopropane-1-carboxamide

C18H19N3O5S — CID 100788948

IUPACN-[2-methyl-5-(methylsulfamoyl)phenyl]-1-(4-nitrophenyl)cyclopropane-1-carboxamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)c1
InChIInChI=1S/C18H19N3O5S/c1-12-3-8-15(27(25,26)19-2)11-16(12)20-17(22)18(9-10-18)13-4-6-14(7-5-13)21(23)24/h3-8,11,19H,9-10H2,1-2H3,(H,20,22)
InChIKeyALAKBTNFBARICR-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.48
Rot. Bonds6

About N-[2-methyl-5-(methylsulfamoyl)phenyl]-1-(4-nitrophenyl)cyclopropane-1-carboxamide

N-[2-methyl-5-(methylsulfamoyl)phenyl]-1-(4-nitrophenyl)cyclopropane-1-carboxamide (PubChem CID 100788948) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[2-methyl-5-(methylsulfamoyl)phenyl]-1-(4-nitrophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(methylsulfamoyl)phenyl]-1-(4-nitrophenyl)cyclopropane-1-carboxamide
PubChem CID100788948
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC NameN-[2-methyl-5-(methylsulfamoyl)phenyl]-1-(4-nitrophenyl)cyclopropane-1-carboxamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)c1
InChIInChI=1S/C18H19N3O5S/c1-12-3-8-15(27(25,26)19-2)11-16(12)20-17(22)18(9-10-18)13-4-6-14(7-5-13)21(23)24/h3-8,11,19H,9-10H2,1-2H3,(H,20,22)
InChIKeyALAKBTNFBARICR-UHFFFAOYSA-N
XLogP2.48
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.48
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

N-(5-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide
CID 100789064
N-(2-methyl-5-methylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide
CID 51073188
1-(4-tert-butylphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclopropane-1-carboxamide
CID 46686248
N-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide
CID 100789060
4-(methylamino)-N-[2-methyl-5-(methylsulfamoyl)phenyl]butanamide
CID 60841151
1-(4-aminophenyl)-N-(2,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 99706775
1-(4-nitrophenyl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 100789042
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide
CID 55329459
2,2,2-trifluoro-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 63374698
2,2-dichloro-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopropane-1-carboxamide
CID 43004763
2-amino-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopentane-1-carboxamide
CID 82765923
2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 43695768

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(methylsulfamoyl)phenyl]-1-(4-nitrophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-methyl-5-(methylsulfamoyl)phenyl]-1-(4-nitrophenyl)cyclopropane-1-carboxamide (CID 100788948) is N-[2-methyl-5-(methylsulfamoyl)phenyl]-1-(4-nitrophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(methylsulfamoyl)phenyl]-1-(4-nitrophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-methyl-5-(methylsulfamoyl)phenyl]-1-(4-nitrophenyl)cyclopropane-1-carboxamide is CNS(=O)(=O)c1ccc(C)c(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)c1.
What is the InChIKey of N-[2-methyl-5-(methylsulfamoyl)phenyl]-1-(4-nitrophenyl)cyclopropane-1-carboxamide?
The InChIKey is ALAKBTNFBARICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-12-3-8-15(27(25,26)19-2)11-16(12)20-17(22)18(9-10-18)13-4-6-14(7-5-13)21(23)24/h3-8,11,19H,9-10H2,1-2H3,(H,20,22).
What are the key properties of N-[2-methyl-5-(methylsulfamoyl)phenyl]-1-(4-nitrophenyl)cyclopropane-1-carboxamide?
N-[2-methyl-5-(methylsulfamoyl)phenyl]-1-(4-nitrophenyl)cyclopropane-1-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(methylsulfamoyl)phenyl]-1-(4-nitrophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 100788948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).