N-cyclohexyl-3-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propanamide

C20H30N4O5S — CID 46560014

IUPACN-cyclohexyl-3-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CCC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C20H30N4O5S/c1-16-7-8-18(24(26)27)15-19(16)30(28,29)23-13-11-22(12-14-23)10-9-20(25)21-17-5-3-2-4-6-17/h7-8,15,17H,2-6,9-14H2,1H3,(H,21,25)
InChIKeyATXSAKPQSFXCGP-UHFFFAOYSA-N
MW438.55 g/mol
LogP2.05
Rot. Bonds7

About N-cyclohexyl-3-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propanamide

N-cyclohexyl-3-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 46560014) has the molecular formula C20H30N4O5S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-cyclohexyl-3-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propanamide
PubChem CID46560014
Molecular FormulaC20H30N4O5S
Molecular Weight438.55 g/mol
Exact Mass438.19
IUPAC NameN-cyclohexyl-3-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CCC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C20H30N4O5S/c1-16-7-8-18(24(26)27)15-19(16)30(28,29)23-13-11-22(12-14-23)10-9-20(25)21-17-5-3-2-4-6-17/h7-8,15,17H,2-6,9-14H2,1H3,(H,21,25)
InChIKeyATXSAKPQSFXCGP-UHFFFAOYSA-N
XLogP2.05
TPSA112.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 52.05
H-Bond Donors ≤ 51
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

N-cyclohexyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 26912952
N-(3-fluorophenyl)-3-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propanamide
CID 46560016
1-cyclohexyl-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine
CID 90146968
N-methyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-amine
CID 119979756
N-cyclohexyl-4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazine-1-carboxamide
CID 35398892
N-cyclopentyl-3-[4-(4-sulfamoylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 55989752
N-methyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714788
1-(2-methyl-5-nitrophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 26823166
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 2655724
1-(2-chloro-5-nitrophenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide
CID 4798614
1-(2-methyl-5-nitrophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585251
[(1R,2R)-2-methylcyclopropyl]-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 9496351

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of N-cyclohexyl-3-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propanamide (CID 46560014) is N-cyclohexyl-3-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propanamide is Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CCC(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-3-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is ATXSAKPQSFXCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O5S/c1-16-7-8-18(24(26)27)15-19(16)30(28,29)23-13-11-22(12-14-23)10-9-20(25)21-17-5-3-2-4-6-17/h7-8,15,17H,2-6,9-14H2,1H3,(H,21,25).
What are the key properties of N-cyclohexyl-3-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propanamide?
N-cyclohexyl-3-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 438.55 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 46560014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).