N-[3-(azocan-1-yl)-3-oxopropyl]-3,4-dimethylbenzenesulfonamide

C18H28N2O3S — CID 24979256

IUPACN-[3-(azocan-1-yl)-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N2CCCCCCC2)cc1C
InChIInChI=1S/C18H28N2O3S/c1-15-8-9-17(14-16(15)2)24(22,23)19-11-10-18(21)20-12-6-4-3-5-7-13-20/h8-9,14,19H,3-7,10-13H2,1-2H3
InChIKeySYPDYFRXDBOHFU-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.76
Rot. Bonds5

About N-[3-(azocan-1-yl)-3-oxopropyl]-3,4-dimethylbenzenesulfonamide

N-[3-(azocan-1-yl)-3-oxopropyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 24979256) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-[3-(azocan-1-yl)-3-oxopropyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(azocan-1-yl)-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
PubChem CID24979256
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-[3-(azocan-1-yl)-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N2CCCCCCC2)cc1C
InChIInChI=1S/C18H28N2O3S/c1-15-8-9-17(14-16(15)2)24(22,23)19-11-10-18(21)20-12-6-4-3-5-7-13-20/h8-9,14,19H,3-7,10-13H2,1-2H3
InChIKeySYPDYFRXDBOHFU-UHFFFAOYSA-N
XLogP2.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(aminosulphonyl)phenyl]ethyl]acetamide
CID 745994
N-(3-{[(4-methylphenyl)sulfonyl]amino}propyl)acetamide
CID 2186028
2-Propylamido-5-sulfonamidoindane
CID 11536481
2-Ethylamido-5-sulfonamidoindane
CID 11543564
N-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 2435085
2-Propyl-pentanoic acid [2-(4-sulfamoyl-phenyl)-ethyl]-amide
CID 11099458
2-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 889524
4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylbenzenesulfonamide
CID 3156904
N-[2-(azepan-1-yl)ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 3245560
1-(3,4-dimethylphenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 24819910
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 24979199
N-[1-(azocan-1-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
CID 24979945

Frequently Asked Questions

What is the IUPAC name of N-[3-(azocan-1-yl)-3-oxopropyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[3-(azocan-1-yl)-3-oxopropyl]-3,4-dimethylbenzenesulfonamide (CID 24979256) is N-[3-(azocan-1-yl)-3-oxopropyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-(azocan-1-yl)-3-oxopropyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[3-(azocan-1-yl)-3-oxopropyl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCC(=O)N2CCCCCCC2)cc1C.
What is the InChIKey of N-[3-(azocan-1-yl)-3-oxopropyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is SYPDYFRXDBOHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-15-8-9-17(14-16(15)2)24(22,23)19-11-10-18(21)20-12-6-4-3-5-7-13-20/h8-9,14,19H,3-7,10-13H2,1-2H3.
What are the key properties of N-[3-(azocan-1-yl)-3-oxopropyl]-3,4-dimethylbenzenesulfonamide?
N-[3-(azocan-1-yl)-3-oxopropyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 352.50 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azocan-1-yl)-3-oxopropyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 24979256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).