N-[(E)-4-cyclopropylbut-3-enyl]-4-methyl-N-(3-oxopropyl)benzenesulfonamide

C17H23NO3S — CID 11493507

IUPACN-[(E)-4-cyclopropylbut-3-enyl]-4-methyl-N-(3-oxopropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCC=O)CC/C=C/C2CC2)cc1
InChIInChI=1S/C17H23NO3S/c1-15-6-10-17(11-7-15)22(20,21)18(13-4-14-19)12-3-2-5-16-8-9-16/h2,5-7,10-11,14,16H,3-4,8-9,12-13H2,1H3/b5-2+
InChIKeyQBRBPNQVTDOZPW-GORDUTHDSA-N
MW321.44 g/mol
LogP2.93
Rot. Bonds9

About N-[(E)-4-cyclopropylbut-3-enyl]-4-methyl-N-(3-oxopropyl)benzenesulfonamide

N-[(E)-4-cyclopropylbut-3-enyl]-4-methyl-N-(3-oxopropyl)benzenesulfonamide (PubChem CID 11493507) has the molecular formula C17H23NO3S and a molecular weight of 321.44 g/mol. Its IUPAC name is N-[(E)-4-cyclopropylbut-3-enyl]-4-methyl-N-(3-oxopropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-4-cyclopropylbut-3-enyl]-4-methyl-N-(3-oxopropyl)benzenesulfonamide
PubChem CID11493507
Molecular FormulaC17H23NO3S
Molecular Weight321.44 g/mol
Exact Mass321.14
IUPAC NameN-[(E)-4-cyclopropylbut-3-enyl]-4-methyl-N-(3-oxopropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCC=O)CC/C=C/C2CC2)cc1
InChIInChI=1S/C17H23NO3S/c1-15-6-10-17(11-7-15)22(20,21)18(13-4-14-19)12-3-2-5-16-8-9-16/h2,5-7,10-11,14,16H,3-4,8-9,12-13H2,1H3/b5-2+
InChIKeyQBRBPNQVTDOZPW-GORDUTHDSA-N
XLogP2.93
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(E)-4-cyclopropylbut-3-enyl]-4-methyl-N-(3-oxopropyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ditolamide
CID 208847
p-Toluenesulfonamide, N,N-diisobutyl-
CID 347533
4-methyl-N-[(3R)-4-methyl-1-oxopentan-3-yl]benzenesulfonamide
CID 44574980
N-buta-2,3-dienyl-4-methyl-N-(3-oxopropyl)benzenesulfonamide
CID 15533711
5-[1-(p-Tolylsulfonyl)aziridin-2-yl]pentanal
CID 390158
Benzenesulfonamide, 4-methyl-N-ethyl-N-2-ethylhexyl-
CID 23105585
Benzenesulfonamide, 4-methyl-N-ethyl-N-isobutyl-
CID 91734521
Benzenesulfonamide, N-3-butenyl-4-methyl-N-4-pentenyl-
CID 11150536
N,N-Di(but-3-en-1-yl)-4-methylbenzene-1-sulfonamide
CID 11437431
4-Methyl-N-(3-oxopropyl)benzene-1-sulfonamide
CID 28345155
4-formyl-N,N-dipropylbenzenesulfonamide
CID 138962999
3-Methyl-1-tosylpiperidin-4-one
CID 3865867

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-cyclopropylbut-3-enyl]-4-methyl-N-(3-oxopropyl)benzenesulfonamide?
The IUPAC name of N-[(E)-4-cyclopropylbut-3-enyl]-4-methyl-N-(3-oxopropyl)benzenesulfonamide (CID 11493507) is N-[(E)-4-cyclopropylbut-3-enyl]-4-methyl-N-(3-oxopropyl)benzenesulfonamide.
What is the SMILES notation for N-[(E)-4-cyclopropylbut-3-enyl]-4-methyl-N-(3-oxopropyl)benzenesulfonamide?
The canonical SMILES for N-[(E)-4-cyclopropylbut-3-enyl]-4-methyl-N-(3-oxopropyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(CCC=O)CC/C=C/C2CC2)cc1.
What is the InChIKey of N-[(E)-4-cyclopropylbut-3-enyl]-4-methyl-N-(3-oxopropyl)benzenesulfonamide?
The InChIKey is QBRBPNQVTDOZPW-GORDUTHDSA-N. The full InChI is InChI=1S/C17H23NO3S/c1-15-6-10-17(11-7-15)22(20,21)18(13-4-14-19)12-3-2-5-16-8-9-16/h2,5-7,10-11,14,16H,3-4,8-9,12-13H2,1H3/b5-2+.
What are the key properties of N-[(E)-4-cyclopropylbut-3-enyl]-4-methyl-N-(3-oxopropyl)benzenesulfonamide?
N-[(E)-4-cyclopropylbut-3-enyl]-4-methyl-N-(3-oxopropyl)benzenesulfonamide has a molecular weight of 321.44 g/mol, XLogP of 2.93, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-cyclopropylbut-3-enyl]-4-methyl-N-(3-oxopropyl)benzenesulfonamide is sourced from PubChem (CID 11493507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).