N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methylbenzenesulfonamide

C20H22N2O4S — CID 40517909

IUPACN-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methylbenzenesulfonamide
SMILESCC[C@@]1(c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C20H22N2O4S/c1-3-20(13-12-18(23)21-19(20)24)15-6-8-16(9-7-15)22-27(25,26)17-10-4-14(2)5-11-17/h4-11,22H,3,12-13H2,1-2H3,(H,21,23,24)/t20-/m0/s1
InChIKeyYRKCRRKPTRXVJQ-FQEVSTJZSA-N
MW386.47 g/mol
LogP2.88
Rot. Bonds5

About N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methylbenzenesulfonamide

N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methylbenzenesulfonamide (PubChem CID 40517909) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methylbenzenesulfonamide
PubChem CID40517909
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methylbenzenesulfonamide
SMILESCC[C@@]1(c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C20H22N2O4S/c1-3-20(13-12-18(23)21-19(20)24)15-6-8-16(9-7-15)22-27(25,26)17-10-4-14(2)5-11-17/h4-11,22H,3,12-13H2,1-2H3,(H,21,23,24)/t20-/m0/s1
InChIKeyYRKCRRKPTRXVJQ-FQEVSTJZSA-N
XLogP2.88
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]thiophene-2-sulfonamide
CID 94664231
2-[[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]sulfamoyl]benzoic acid
CID 10811829
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 65481186
N-butyl-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822226
N-[(2R)-butan-2-yl]-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 92895376
N-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CID 20927765
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzenesulfonamide
CID 169372782
4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 16643195
N-[4-(1H-imidazol-5-yl)phenyl]-4-methylbenzenesulfonamide
CID 84512772

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methylbenzenesulfonamide (CID 40517909) is N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methylbenzenesulfonamide is CC[C@@]1(c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)CCC(=O)NC1=O.
What is the InChIKey of N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is YRKCRRKPTRXVJQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-3-20(13-12-18(23)21-19(20)24)15-6-8-16(9-7-15)22-27(25,26)17-10-4-14(2)5-11-17/h4-11,22H,3,12-13H2,1-2H3,(H,21,23,24)/t20-/m0/s1.
What are the key properties of N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methylbenzenesulfonamide?
N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 40517909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).