4-[3-[1-(3-chlorophenyl)ethylamino]cyclopentyl]-N-[(E)-2-(hydrazinesulfonyl)ethenyl]benzamide

C22H27ClN4O3S — CID 90750407

IUPAC4-[3-[1-(3-chlorophenyl)ethylamino]cyclopentyl]-N-[(E)-2-(hydrazinesulfonyl)ethenyl]benzamide
SMILESCC(NC1CCC(c2ccc(C(=O)N/C=C/S(=O)(=O)NN)cc2)C1)c1cccc(Cl)c1
InChIInChI=1S/C22H27ClN4O3S/c1-15(18-3-2-4-20(23)13-18)26-21-10-9-19(14-21)16-5-7-17(8-6-16)22(28)25-11-12-31(29,30)27-24/h2-8,11-13,15,19,21,26-27H,9-10,14,24H2,1H3,(H,25,28)/b12-11+
InChIKeyVNYUREJLSWSZBW-VAWYXSNFSA-N
MW463.00 g/mol
LogP3.32
Rot. Bonds8

About 4-[3-[1-(3-chlorophenyl)ethylamino]cyclopentyl]-N-[(E)-2-(hydrazinesulfonyl)ethenyl]benzamide

4-[3-[1-(3-chlorophenyl)ethylamino]cyclopentyl]-N-[(E)-2-(hydrazinesulfonyl)ethenyl]benzamide (PubChem CID 90750407) has the molecular formula C22H27ClN4O3S and a molecular weight of 463.00 g/mol. Its IUPAC name is 4-[3-[1-(3-chlorophenyl)ethylamino]cyclopentyl]-N-[(E)-2-(hydrazinesulfonyl)ethenyl]benzamide.

Molecular Properties

Compound Name4-[3-[1-(3-chlorophenyl)ethylamino]cyclopentyl]-N-[(E)-2-(hydrazinesulfonyl)ethenyl]benzamide
PubChem CID90750407
Molecular FormulaC22H27ClN4O3S
Molecular Weight463.00 g/mol
Exact Mass462.15
IUPAC Name4-[3-[1-(3-chlorophenyl)ethylamino]cyclopentyl]-N-[(E)-2-(hydrazinesulfonyl)ethenyl]benzamide
SMILESCC(NC1CCC(c2ccc(C(=O)N/C=C/S(=O)(=O)NN)cc2)C1)c1cccc(Cl)c1
InChIInChI=1S/C22H27ClN4O3S/c1-15(18-3-2-4-20(23)13-18)26-21-10-9-19(14-21)16-5-7-17(8-6-16)22(28)25-11-12-31(29,30)27-24/h2-8,11-13,15,19,21,26-27H,9-10,14,24H2,1H3,(H,25,28)/b12-11+
InChIKeyVNYUREJLSWSZBW-VAWYXSNFSA-N
XLogP3.32
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.00
LogP ≤ 53.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(1S)-3-[[(1R)-1-(3-chlorophenyl)ethyl]amino]cyclopentyl]-N-(cyanomethyl)benzamide
CID 90261013
cis-(1S,3R)-N-[(1R)-1-(3-chlorophenyl)ethyl]-3-(6-fluoro-3-pyridinyl)cyclopentan-1-amine
CID 86698384
ethyl 3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexane-1-carboxylate
CID 104881605
4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine
CID 62313851
1-[4-[(1S)-3-[(2S)-2-(3-chlorophenyl)propyl]cyclopentyl]benzoyl]piperidin-3-one
CID 147635890
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(4-methylsulfonylphenyl)cyclopentan-1-amine
CID 75298644
1-[4-[1-(3-chlorophenyl)ethylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43747786
N-(2-amino-2-oxoethyl)-4-[(3S)-3-[[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]amino]cyclopentyl]benzamide
CID 91357944
4-tert-butyl-N-[(1R)-1-(3-chlorophenyl)ethyl]cyclohexan-1-amine
CID 29045070
2-[4-[3-[1-(3-ethoxyphenyl)ethylamino]cyclopentyl]phenoxy]-N-methylsulfonylacetamide
CID 75298781
4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]benzoic acid
CID 59617339
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 81366711

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(3-chlorophenyl)ethylamino]cyclopentyl]-N-[(E)-2-(hydrazinesulfonyl)ethenyl]benzamide?
The IUPAC name of 4-[3-[1-(3-chlorophenyl)ethylamino]cyclopentyl]-N-[(E)-2-(hydrazinesulfonyl)ethenyl]benzamide (CID 90750407) is 4-[3-[1-(3-chlorophenyl)ethylamino]cyclopentyl]-N-[(E)-2-(hydrazinesulfonyl)ethenyl]benzamide.
What is the SMILES notation for 4-[3-[1-(3-chlorophenyl)ethylamino]cyclopentyl]-N-[(E)-2-(hydrazinesulfonyl)ethenyl]benzamide?
The canonical SMILES for 4-[3-[1-(3-chlorophenyl)ethylamino]cyclopentyl]-N-[(E)-2-(hydrazinesulfonyl)ethenyl]benzamide is CC(NC1CCC(c2ccc(C(=O)N/C=C/S(=O)(=O)NN)cc2)C1)c1cccc(Cl)c1.
What is the InChIKey of 4-[3-[1-(3-chlorophenyl)ethylamino]cyclopentyl]-N-[(E)-2-(hydrazinesulfonyl)ethenyl]benzamide?
The InChIKey is VNYUREJLSWSZBW-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H27ClN4O3S/c1-15(18-3-2-4-20(23)13-18)26-21-10-9-19(14-21)16-5-7-17(8-6-16)22(28)25-11-12-31(29,30)27-24/h2-8,11-13,15,19,21,26-27H,9-10,14,24H2,1H3,(H,25,28)/b12-11+.
What are the key properties of 4-[3-[1-(3-chlorophenyl)ethylamino]cyclopentyl]-N-[(E)-2-(hydrazinesulfonyl)ethenyl]benzamide?
4-[3-[1-(3-chlorophenyl)ethylamino]cyclopentyl]-N-[(E)-2-(hydrazinesulfonyl)ethenyl]benzamide has a molecular weight of 463.00 g/mol, XLogP of 3.32, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(3-chlorophenyl)ethylamino]cyclopentyl]-N-[(E)-2-(hydrazinesulfonyl)ethenyl]benzamide is sourced from PubChem (CID 90750407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).