N-[2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide

C19H23N3O4S — CID 108571279

IUPACN-[2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)CNC(=O)c2ccccc2)cc1C
InChIInChI=1S/C19H23N3O4S/c1-14-8-9-17(12-15(14)2)27(25,26)22-11-10-20-18(23)13-21-19(24)16-6-4-3-5-7-16/h3-9,12,22H,10-11,13H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyNVLJGDLNDFWODP-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.13
Rot. Bonds8

About N-[2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide

N-[2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide (PubChem CID 108571279) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
PubChem CID108571279
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)CNC(=O)c2ccccc2)cc1C
InChIInChI=1S/C19H23N3O4S/c1-14-8-9-17(12-15(14)2)27(25,26)22-11-10-20-18(23)13-21-19(24)16-6-4-3-5-7-16/h3-9,12,22H,10-11,13H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyNVLJGDLNDFWODP-UHFFFAOYSA-N
XLogP1.13
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[(4-tert-butylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
CID 108571276
N-[2-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
CID 33430214
3-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 108571401
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide
CID 39698057
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]acetic acid
CID 119171670
3-(2-benzamidoethylsulfamoyl)benzenesulfonyl fluoride
CID 166407089
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 24663420
3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide
CID 32736543
N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]ethyl]benzamide
CID 110630632
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145197
2-[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]oxyethyl benzoate
CID 42977014

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide (CID 108571279) is N-[2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide is Cc1ccc(S(=O)(=O)NCCNC(=O)CNC(=O)c2ccccc2)cc1C.
What is the InChIKey of N-[2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide?
The InChIKey is NVLJGDLNDFWODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-14-8-9-17(12-15(14)2)27(25,26)22-11-10-20-18(23)13-21-19(24)16-6-4-3-5-7-16/h3-9,12,22H,10-11,13H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide?
N-[2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide has a molecular weight of 389.48 g/mol, XLogP of 1.13, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 108571279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).