2-[dimethylsulfamoyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide

C14H24N4O5S2 — CID 100784878

IUPAC2-[dimethylsulfamoyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)CN(C)S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H24N4O5S2/c1-12-5-7-13(8-6-12)24(20,21)16-10-9-15-14(19)11-18(4)25(22,23)17(2)3/h5-8,16H,9-11H2,1-4H3,(H,15,19)
InChIKeyIEEGVHYCNMTTNZ-UHFFFAOYSA-N
MW392.50 g/mol
LogP-0.87
Rot. Bonds9

About 2-[dimethylsulfamoyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide

2-[dimethylsulfamoyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 100784878) has the molecular formula C14H24N4O5S2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[dimethylsulfamoyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound Name2-[dimethylsulfamoyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID100784878
Molecular FormulaC14H24N4O5S2
Molecular Weight392.50 g/mol
Exact Mass392.12
IUPAC Name2-[dimethylsulfamoyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)CN(C)S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H24N4O5S2/c1-12-5-7-13(8-6-12)24(20,21)16-10-9-15-14(19)11-18(4)25(22,23)17(2)3/h5-8,16H,9-11H2,1-4H3,(H,15,19)
InChIKeyIEEGVHYCNMTTNZ-UHFFFAOYSA-N
XLogP-0.87
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100780815
4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide
CID 119704161
N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide
CID 14382253
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylpropanamide
CID 33338052
7-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]heptanamide
CID 119704157
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 33426038
2,4-dihydroxy-3,3-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pentanamide
CID 572222
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100787346
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(4-methylphenoxy)acetamide
CID 108574488
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(4-sulfamoylphenyl)propanamide
CID 33426034
4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
CID 10917846
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073

Frequently Asked Questions

What is the IUPAC name of 2-[dimethylsulfamoyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of 2-[dimethylsulfamoyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide (CID 100784878) is 2-[dimethylsulfamoyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for 2-[dimethylsulfamoyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for 2-[dimethylsulfamoyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide is Cc1ccc(S(=O)(=O)NCCNC(=O)CN(C)S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 2-[dimethylsulfamoyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is IEEGVHYCNMTTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O5S2/c1-12-5-7-13(8-6-12)24(20,21)16-10-9-15-14(19)11-18(4)25(22,23)17(2)3/h5-8,16H,9-11H2,1-4H3,(H,15,19).
What are the key properties of 2-[dimethylsulfamoyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
2-[dimethylsulfamoyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 392.50 g/mol, XLogP of -0.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethylsulfamoyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 100784878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).