2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-methylcyclohexyl)acetamide

C19H32N4O3S — CID 51160031

IUPAC2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-methylcyclohexyl)acetamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)NC1CCCCC1C
InChIInChI=1S/C19H32N4O3S/c1-5-20-17-11-10-15(27(25,26)23(3)4)12-18(17)21-13-19(24)22-16-9-7-6-8-14(16)2/h10-12,14,16,20-21H,5-9,13H2,1-4H3,(H,22,24)
InChIKeyVHKDBMIBKCCKRP-UHFFFAOYSA-N
MW396.56 g/mol
LogP2.48
Rot. Bonds8

About 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-methylcyclohexyl)acetamide

2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-methylcyclohexyl)acetamide (PubChem CID 51160031) has the molecular formula C19H32N4O3S and a molecular weight of 396.56 g/mol. Its IUPAC name is 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-methylcyclohexyl)acetamide
PubChem CID51160031
Molecular FormulaC19H32N4O3S
Molecular Weight396.56 g/mol
Exact Mass396.22
IUPAC Name2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-methylcyclohexyl)acetamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)NC1CCCCC1C
InChIInChI=1S/C19H32N4O3S/c1-5-20-17-11-10-15(27(25,26)23(3)4)12-18(17)21-13-19(24)22-16-9-7-6-8-14(16)2/h10-12,14,16,20-21H,5-9,13H2,1-4H3,(H,22,24)
InChIKeyVHKDBMIBKCCKRP-UHFFFAOYSA-N
XLogP2.48
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetate
CID 24541409
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 9106509
N-(4-bromo-2-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
CID 4884599
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9106574
2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 25349723
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24533737
3-amino-N,N-dimethyl-4-[(2-methylcyclopentyl)amino]benzenesulfonamide
CID 63277953
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(4-phenoxyphenyl)acetamide
CID 4884363
N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]piperidine-3-carboxamide
CID 119266543
N-(5-tert-butyl-2-methoxyphenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
CID 4884054
3-[[(1S)-2,2-dichlorocyclopropyl]methylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 25352213
N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 9427774

Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-methylcyclohexyl)acetamide (CID 51160031) is 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-methylcyclohexyl)acetamide is CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)NC1CCCCC1C.
What is the InChIKey of 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-methylcyclohexyl)acetamide?
The InChIKey is VHKDBMIBKCCKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3S/c1-5-20-17-11-10-15(27(25,26)23(3)4)12-18(17)21-13-19(24)22-16-9-7-6-8-14(16)2/h10-12,14,16,20-21H,5-9,13H2,1-4H3,(H,22,24).
What are the key properties of 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-methylcyclohexyl)acetamide?
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-methylcyclohexyl)acetamide has a molecular weight of 396.56 g/mol, XLogP of 2.48, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 51160031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).