N-[3-[ethyl(2-methylprop-2-enyl)sulfamoyl]-4-methylphenyl]acetamide

C15H22N2O3S — CID 39792493

IUPACN-[3-[ethyl(2-methylprop-2-enyl)sulfamoyl]-4-methylphenyl]acetamide
SMILESC=C(C)CN(CC)S(=O)(=O)c1cc(NC(C)=O)ccc1C
InChIInChI=1S/C15H22N2O3S/c1-6-17(10-11(2)3)21(19,20)15-9-14(16-13(5)18)8-7-12(15)4/h7-9H,2,6,10H2,1,3-5H3,(H,16,18)
InChIKeyZKDBZZHAXWABGG-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.54
Rot. Bonds6

About N-[3-[ethyl(2-methylprop-2-enyl)sulfamoyl]-4-methylphenyl]acetamide

N-[3-[ethyl(2-methylprop-2-enyl)sulfamoyl]-4-methylphenyl]acetamide (PubChem CID 39792493) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[3-[ethyl(2-methylprop-2-enyl)sulfamoyl]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[ethyl(2-methylprop-2-enyl)sulfamoyl]-4-methylphenyl]acetamide
PubChem CID39792493
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[3-[ethyl(2-methylprop-2-enyl)sulfamoyl]-4-methylphenyl]acetamide
SMILESC=C(C)CN(CC)S(=O)(=O)c1cc(NC(C)=O)ccc1C
InChIInChI=1S/C15H22N2O3S/c1-6-17(10-11(2)3)21(19,20)15-9-14(16-13(5)18)8-7-12(15)4/h7-9H,2,6,10H2,1,3-5H3,(H,16,18)
InChIKeyZKDBZZHAXWABGG-UHFFFAOYSA-N
XLogP2.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-acetamidophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide
CID 31253612
1-tert-butyl-3-[3-(diethylsulfamoyl)-4-methylphenyl]urea
CID 8002731
N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781411
2-[(5-acetamido-2-methylphenyl)sulfonyl-methylamino]acetic acid
CID 60651397
2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide
CID 8771644
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide
CID 7929076
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
2-[(4-acetamido-2-fluorophenyl)sulfonyl-ethylamino]acetic acid
CID 61011984
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide
CID 26521292
2-(4-chlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 7689008
N-[3-[bis(furan-2-ylmethyl)sulfamoyl]-4-methylphenyl]acetamide
CID 55365023
2-(3-acetylanilino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 9084580

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(2-methylprop-2-enyl)sulfamoyl]-4-methylphenyl]acetamide?
The IUPAC name of N-[3-[ethyl(2-methylprop-2-enyl)sulfamoyl]-4-methylphenyl]acetamide (CID 39792493) is N-[3-[ethyl(2-methylprop-2-enyl)sulfamoyl]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[ethyl(2-methylprop-2-enyl)sulfamoyl]-4-methylphenyl]acetamide?
The canonical SMILES for N-[3-[ethyl(2-methylprop-2-enyl)sulfamoyl]-4-methylphenyl]acetamide is C=C(C)CN(CC)S(=O)(=O)c1cc(NC(C)=O)ccc1C.
What is the InChIKey of N-[3-[ethyl(2-methylprop-2-enyl)sulfamoyl]-4-methylphenyl]acetamide?
The InChIKey is ZKDBZZHAXWABGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-6-17(10-11(2)3)21(19,20)15-9-14(16-13(5)18)8-7-12(15)4/h7-9H,2,6,10H2,1,3-5H3,(H,16,18).
What are the key properties of N-[3-[ethyl(2-methylprop-2-enyl)sulfamoyl]-4-methylphenyl]acetamide?
N-[3-[ethyl(2-methylprop-2-enyl)sulfamoyl]-4-methylphenyl]acetamide has a molecular weight of 310.42 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(2-methylprop-2-enyl)sulfamoyl]-4-methylphenyl]acetamide is sourced from PubChem (CID 39792493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).