3-(diethylsulfamoyl)-4-methyl-N,N-bis(prop-2-enyl)benzamide

C18H26N2O3S — CID 78784360

IUPAC3-(diethylsulfamoyl)-4-methyl-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(C)c(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C18H26N2O3S/c1-6-12-19(13-7-2)18(21)16-11-10-15(5)17(14-16)24(22,23)20(8-3)9-4/h6-7,10-11,14H,1-2,8-9,12-13H2,3-5H3
InChIKeyQRFVBXGTUDYMTG-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.84
Rot. Bonds9

About 3-(diethylsulfamoyl)-4-methyl-N,N-bis(prop-2-enyl)benzamide

3-(diethylsulfamoyl)-4-methyl-N,N-bis(prop-2-enyl)benzamide (PubChem CID 78784360) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-4-methyl-N,N-bis(prop-2-enyl)benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-4-methyl-N,N-bis(prop-2-enyl)benzamide
PubChem CID78784360
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name3-(diethylsulfamoyl)-4-methyl-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(C)c(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C18H26N2O3S/c1-6-12-19(13-7-2)18(21)16-11-10-15(5)17(14-16)24(22,23)20(8-3)9-4/h6-7,10-11,14H,1-2,8-9,12-13H2,3-5H3
InChIKeyQRFVBXGTUDYMTG-UHFFFAOYSA-N
XLogP2.84
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189513
N-butan-2-yl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 134006059
N-benzyl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 27665708
3-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide
CID 26555928
N-[(4-chlorophenyl)methyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 27773808
3-(diethylsulfamoyl)-N,4-dimethyl-N-(3-phenylpropyl)benzamide
CID 55710404
N,N-diethyl-2-methyl-5-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2648443
3-[ethyl(2-hydroxyethyl)sulfamoyl]-4-methylbenzoic acid
CID 60951989
3-(diethylsulfamoyl)-4-methyl-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]benzamide
CID 143631327
3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide
CID 27231281
3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119433491
3-(diethylsulfamoyl)-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825801

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-4-methyl-N,N-bis(prop-2-enyl)benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-4-methyl-N,N-bis(prop-2-enyl)benzamide (CID 78784360) is 3-(diethylsulfamoyl)-4-methyl-N,N-bis(prop-2-enyl)benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-4-methyl-N,N-bis(prop-2-enyl)benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-4-methyl-N,N-bis(prop-2-enyl)benzamide is C=CCN(CC=C)C(=O)c1ccc(C)c(S(=O)(=O)N(CC)CC)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-4-methyl-N,N-bis(prop-2-enyl)benzamide?
The InChIKey is QRFVBXGTUDYMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-6-12-19(13-7-2)18(21)16-11-10-15(5)17(14-16)24(22,23)20(8-3)9-4/h6-7,10-11,14H,1-2,8-9,12-13H2,3-5H3.
What are the key properties of 3-(diethylsulfamoyl)-4-methyl-N,N-bis(prop-2-enyl)benzamide?
3-(diethylsulfamoyl)-4-methyl-N,N-bis(prop-2-enyl)benzamide has a molecular weight of 350.48 g/mol, XLogP of 2.84, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-4-methyl-N,N-bis(prop-2-enyl)benzamide is sourced from PubChem (CID 78784360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).