N-(4-methyl-2-nitrophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide

C17H18N2O3S — CID 42435556

IUPACN-(4-methyl-2-nitrophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3cccs3)CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H18N2O3S/c1-12-6-7-13(14(11-12)19(21)22)18-16(20)17(8-2-3-9-17)15-5-4-10-23-15/h4-7,10-11H,2-3,8-9H2,1H3,(H,18,20)
InChIKeySQVAHTUTXZMUCR-UHFFFAOYSA-N
MW330.41 g/mol
LogP4.42
Rot. Bonds4

About N-(4-methyl-2-nitrophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide

N-(4-methyl-2-nitrophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 42435556) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(4-methyl-2-nitrophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-nitrophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID42435556
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(4-methyl-2-nitrophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3cccs3)CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H18N2O3S/c1-12-6-7-13(14(11-12)19(21)22)18-16(20)17(8-2-3-9-17)15-5-4-10-23-15/h4-7,10-11H,2-3,8-9H2,1H3,(H,18,20)
InChIKeySQVAHTUTXZMUCR-UHFFFAOYSA-N
XLogP4.42
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-cyano-N-(4-methyl-2-nitrophenyl)cyclopropane-1-carboxamide
CID 107857068
N-(2,4-difluorophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435435
[2-(4-methyl-2-nitroanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 35588003
2-(1-aminocyclobutyl)-N-(4-methyl-2-nitrophenyl)acetamide
CID 79851993
4-amino-N-(4-methyl-2-nitrophenyl)oxane-4-carboxamide
CID 115293950
N-(2-chlorophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435589
N-(2-fluorophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435427
N-(2-methoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435562
2-bromo-N-(4-methyl-2-nitrophenyl)acetamide
CID 3415346
2-(methylamino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 43218210
N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide
CID 4123173
1-[(4-methyl-2-nitroanilino)methyl]cyclohexane-1-carboxylic acid
CID 115436204

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-nitrophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-(4-methyl-2-nitrophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 42435556) is N-(4-methyl-2-nitrophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-methyl-2-nitrophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-(4-methyl-2-nitrophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide is Cc1ccc(NC(=O)C2(c3cccs3)CCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methyl-2-nitrophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is SQVAHTUTXZMUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-12-6-7-13(14(11-12)19(21)22)18-16(20)17(8-2-3-9-17)15-5-4-10-23-15/h4-7,10-11H,2-3,8-9H2,1H3,(H,18,20).
What are the key properties of N-(4-methyl-2-nitrophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-(4-methyl-2-nitrophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-nitrophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 42435556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).