N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide

C22H29N3O3S — CID 60536570

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide
SMILESC=CCN(C)S(=O)(=O)c1ccc(NCC(=O)NC(C)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C22H29N3O3S/c1-6-13-25(5)29(27,28)21-11-9-20(10-12-21)23-15-22(26)24-18(4)19-8-7-16(2)17(3)14-19/h6-12,14,18,23H,1,13,15H2,2-5H3,(H,24,26)
InChIKeyHOPMKBRRKVOOTD-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.40
Rot. Bonds9

About N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide

N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide (PubChem CID 60536570) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide
PubChem CID60536570
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide
SMILESC=CCN(C)S(=O)(=O)c1ccc(NCC(=O)NC(C)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C22H29N3O3S/c1-6-13-25(5)29(27,28)21-11-9-20(10-12-21)23-15-22(26)24-18(4)19-8-7-16(2)17(3)14-19/h6-12,14,18,23H,1,13,15H2,2-5H3,(H,24,26)
InChIKeyHOPMKBRRKVOOTD-UHFFFAOYSA-N
XLogP3.40
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide 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

N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 26034287
1-[(2R)-1-hydroxypropan-2-yl]-3-[4-[methyl(prop-2-enyl)sulfamoyl]phenyl]urea
CID 94756092
N-(4-methyl-2-nitrophenyl)-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide
CID 55898534
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 26003447
4-[(2,5-dimethylphenyl)methylamino]-N-methyl-N-prop-2-enylbenzenesulfonamide
CID 52703798
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30210794
2-anilino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]acetamide
CID 119686819
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 28633736
N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 132665488
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 8802080
N-[1-(3,4-dimethylphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 24607037
2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 51224203

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide (CID 60536570) is N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide is C=CCN(C)S(=O)(=O)c1ccc(NCC(=O)NC(C)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide?
The InChIKey is HOPMKBRRKVOOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-6-13-25(5)29(27,28)21-11-9-20(10-12-21)23-15-22(26)24-18(4)19-8-7-16(2)17(3)14-19/h6-12,14,18,23H,1,13,15H2,2-5H3,(H,24,26).
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide?
N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide has a molecular weight of 415.56 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide is sourced from PubChem (CID 60536570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).