2-(4-carbamohydrazonoylphenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)acetamide

C25H29N5O3S — CID 75002931

IUPAC2-(4-carbamohydrazonoylphenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)acetamide
SMILESCN(C(=O)C(NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(C(N)=NN)cc1)C1CCCC1
InChIInChI=1S/C25H29N5O3S/c1-30(21-8-4-5-9-21)25(31)23(18-10-12-19(13-11-18)24(26)28-27)29-34(32,33)22-15-14-17-6-2-3-7-20(17)16-22/h2-3,6-7,10-16,21,23,29H,4-5,8-9,27H2,1H3,(H2,26,28)
InChIKeyNIALXKZFAZNYPR-UHFFFAOYSA-N
MW479.61 g/mol
LogP2.84
Rot. Bonds7

About 2-(4-carbamohydrazonoylphenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)acetamide

2-(4-carbamohydrazonoylphenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)acetamide (PubChem CID 75002931) has the molecular formula C25H29N5O3S and a molecular weight of 479.61 g/mol. Its IUPAC name is 2-(4-carbamohydrazonoylphenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)acetamide.

Molecular Properties

Compound Name2-(4-carbamohydrazonoylphenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)acetamide
PubChem CID75002931
Molecular FormulaC25H29N5O3S
Molecular Weight479.61 g/mol
Exact Mass479.20
IUPAC Name2-(4-carbamohydrazonoylphenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)acetamide
SMILESCN(C(=O)C(NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(C(N)=NN)cc1)C1CCCC1
InChIInChI=1S/C25H29N5O3S/c1-30(21-8-4-5-9-21)25(31)23(18-10-12-19(13-11-18)24(26)28-27)29-34(32,33)22-15-14-17-6-2-3-7-20(17)16-22/h2-3,6-7,10-16,21,23,29H,4-5,8-9,27H2,1H3,(H2,26,28)
InChIKeyNIALXKZFAZNYPR-UHFFFAOYSA-N
XLogP2.84
TPSA130.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-cyanophenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)propanamide
CID 19608647
(2S)-2-(naphthalen-2-ylsulfonylamino)-2-phenylacetamide
CID 51472155
(2S)-5-(4-aminophenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)pent-4-ynamide
CID 15515701
N-cyclohexyl-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 6619842
2-(naphthalen-2-ylsulfonylamino)-2-phenylacetate
CID 5210543
N-cyclohexyl-N-methyl-2-naphthalen-2-ylsulfonylacetamide
CID 4531956
4-[2-(naphthalen-2-ylsulfonylamino)propanoylamino]benzamide
CID 4532782
(2S)-N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 34247715
4-[[(2R)-2-(naphthalen-2-ylsulfonylamino)propanoyl]amino]benzamide
CID 40645986
(2S)-3-(4-cyanophenyl)-N-cyclopentyl-N-ethyl-2-(naphthalen-2-ylsulfonylamino)propanamide
CID 54212480
methyl 3-cyclohexyl-2-(naphthalen-2-ylsulfonylamino)propanoate
CID 3263184
(2S)-N-cyclopentyl-N-methyl-2-naphthalen-2-yloxypropanamide
CID 38015885

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamohydrazonoylphenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)acetamide?
The IUPAC name of 2-(4-carbamohydrazonoylphenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)acetamide (CID 75002931) is 2-(4-carbamohydrazonoylphenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)acetamide.
What is the SMILES notation for 2-(4-carbamohydrazonoylphenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)acetamide?
The canonical SMILES for 2-(4-carbamohydrazonoylphenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)acetamide is CN(C(=O)C(NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(C(N)=NN)cc1)C1CCCC1.
What is the InChIKey of 2-(4-carbamohydrazonoylphenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)acetamide?
The InChIKey is NIALXKZFAZNYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3S/c1-30(21-8-4-5-9-21)25(31)23(18-10-12-19(13-11-18)24(26)28-27)29-34(32,33)22-15-14-17-6-2-3-7-20(17)16-22/h2-3,6-7,10-16,21,23,29H,4-5,8-9,27H2,1H3,(H2,26,28).
What are the key properties of 2-(4-carbamohydrazonoylphenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)acetamide?
2-(4-carbamohydrazonoylphenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)acetamide has a molecular weight of 479.61 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamohydrazonoylphenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)acetamide is sourced from PubChem (CID 75002931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).