N-[3-[(4-pentan-2-ylphenyl)sulfonylamino]phenyl]prop-2-enamide

C20H24N2O3S — CID 166824731

IUPACN-[3-[(4-pentan-2-ylphenyl)sulfonylamino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C(C)CCC)cc2)c1
InChIInChI=1S/C20H24N2O3S/c1-4-7-15(3)16-10-12-19(13-11-16)26(24,25)22-18-9-6-8-17(14-18)21-20(23)5-2/h5-6,8-15,22H,2,4,7H2,1,3H3,(H,21,23)
InChIKeyDDIJPVXARMLKLZ-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.52
Rot. Bonds8

About N-[3-[(4-pentan-2-ylphenyl)sulfonylamino]phenyl]prop-2-enamide

N-[3-[(4-pentan-2-ylphenyl)sulfonylamino]phenyl]prop-2-enamide (PubChem CID 166824731) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[3-[(4-pentan-2-ylphenyl)sulfonylamino]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[(4-pentan-2-ylphenyl)sulfonylamino]phenyl]prop-2-enamide
PubChem CID166824731
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[3-[(4-pentan-2-ylphenyl)sulfonylamino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C(C)CCC)cc2)c1
InChIInChI=1S/C20H24N2O3S/c1-4-7-15(3)16-10-12-19(13-11-16)26(24,25)22-18-9-6-8-17(14-18)21-20(23)5-2/h5-6,8-15,22H,2,4,7H2,1,3H3,(H,21,23)
InChIKeyDDIJPVXARMLKLZ-UHFFFAOYSA-N
XLogP4.52
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-2-methylbutanamide
CID 43062359
4-[(2S)-butan-2-yl]-N-(3-methylphenyl)benzenesulfonamide
CID 26012625
methyl 3-[(4-butan-2-ylphenyl)sulfonylamino]benzoate
CID 22774690
N-[3-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 17388137
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 167768510
N-[4-[(2-sulfanylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 102248492
3-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 19062395
N-[4-[2-[3-(methanesulfonamido)anilino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421162
N-[4-(4-propan-2-ylphenyl)sulfonylphenyl]prop-2-enamide
CID 138531780
N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide
CID 3874122
3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 18084674
ethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]benzoate
CID 8823779

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-pentan-2-ylphenyl)sulfonylamino]phenyl]prop-2-enamide?
The IUPAC name of N-[3-[(4-pentan-2-ylphenyl)sulfonylamino]phenyl]prop-2-enamide (CID 166824731) is N-[3-[(4-pentan-2-ylphenyl)sulfonylamino]phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-[(4-pentan-2-ylphenyl)sulfonylamino]phenyl]prop-2-enamide?
The canonical SMILES for N-[3-[(4-pentan-2-ylphenyl)sulfonylamino]phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C(C)CCC)cc2)c1.
What is the InChIKey of N-[3-[(4-pentan-2-ylphenyl)sulfonylamino]phenyl]prop-2-enamide?
The InChIKey is DDIJPVXARMLKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-4-7-15(3)16-10-12-19(13-11-16)26(24,25)22-18-9-6-8-17(14-18)21-20(23)5-2/h5-6,8-15,22H,2,4,7H2,1,3H3,(H,21,23).
What are the key properties of N-[3-[(4-pentan-2-ylphenyl)sulfonylamino]phenyl]prop-2-enamide?
N-[3-[(4-pentan-2-ylphenyl)sulfonylamino]phenyl]prop-2-enamide has a molecular weight of 372.49 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-pentan-2-ylphenyl)sulfonylamino]phenyl]prop-2-enamide is sourced from PubChem (CID 166824731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).