N-cyclopropyl-4-[3-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide

C21H26N4O4S — CID 56504390

IUPACN-cyclopropyl-4-[3-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
SMILESCc1ccc(NCC(=O)NNC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C21H26N4O4S/c1-15-2-7-17(8-3-15)22-14-21(27)24-23-20(26)13-6-16-4-11-19(12-5-16)30(28,29)25-18-9-10-18/h2-5,7-8,11-12,18,22,25H,6,9-10,13-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyYORKAVGCWVGXSZ-UHFFFAOYSA-N
MW430.53 g/mol
LogP1.63
Rot. Bonds9

About N-cyclopropyl-4-[3-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide

N-cyclopropyl-4-[3-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide (PubChem CID 56504390) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-cyclopropyl-4-[3-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[3-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
PubChem CID56504390
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC NameN-cyclopropyl-4-[3-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
SMILESCc1ccc(NCC(=O)NNC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C21H26N4O4S/c1-15-2-7-17(8-3-15)22-14-21(27)24-23-20(26)13-6-16-4-11-19(12-5-16)30(28,29)25-18-9-10-18/h2-5,7-8,11-12,18,22,25H,6,9-10,13-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyYORKAVGCWVGXSZ-UHFFFAOYSA-N
XLogP1.63
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 55846251
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 108566573
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 55959827
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-oxo-3-(propylamino)propyl]propanamide
CID 55977375
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(1,1-diphenylethyl)propanamide
CID 56523769
1-[(4-methylphenyl)methyl]-3-[4-[(4-methylphenyl)sulfonylamino]cyclohexyl]urea
CID 25041483
3-[4-(cyclopentylsulfamoyl)phenyl]-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 110353893
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119572402
tert-butyl 4-[[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]piperidine-1-carboxylate
CID 169372481
3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide
CID 126248632
N-cyclopropyl-4-[3-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 55570568
3-(3,5-dimethoxyphenyl)-N'-[2-(4-methylanilino)acetyl]propanehydrazide
CID 22829646

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[3-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-[3-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide (CID 56504390) is N-cyclopropyl-4-[3-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-[3-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-[3-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide is Cc1ccc(NCC(=O)NNC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1.
What is the InChIKey of N-cyclopropyl-4-[3-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The InChIKey is YORKAVGCWVGXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-15-2-7-17(8-3-15)22-14-21(27)24-23-20(26)13-6-16-4-11-19(12-5-16)30(28,29)25-18-9-10-18/h2-5,7-8,11-12,18,22,25H,6,9-10,13-14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-cyclopropyl-4-[3-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
N-cyclopropyl-4-[3-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide has a molecular weight of 430.53 g/mol, XLogP of 1.63, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[3-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 56504390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).