5-[[[2-(4-chlorophenyl)acetyl]amino]carbamoyl]-N,N-diethyl-2-methylbenzenesulfonamide

C20H24ClN3O4S — CID 26657357

IUPAC5-[[[2-(4-chlorophenyl)acetyl]amino]carbamoyl]-N,N-diethyl-2-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)ccc1C
InChIInChI=1S/C20H24ClN3O4S/c1-4-24(5-2)29(27,28)18-13-16(9-6-14(18)3)20(26)23-22-19(25)12-15-7-10-17(21)11-8-15/h6-11,13H,4-5,12H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyMHPDRFJNYCHQKS-UHFFFAOYSA-N
MW437.95 g/mol
LogP2.68
Rot. Bonds7

About 5-[[[2-(4-chlorophenyl)acetyl]amino]carbamoyl]-N,N-diethyl-2-methylbenzenesulfonamide

5-[[[2-(4-chlorophenyl)acetyl]amino]carbamoyl]-N,N-diethyl-2-methylbenzenesulfonamide (PubChem CID 26657357) has the molecular formula C20H24ClN3O4S and a molecular weight of 437.95 g/mol. Its IUPAC name is 5-[[[2-(4-chlorophenyl)acetyl]amino]carbamoyl]-N,N-diethyl-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-[[[2-(4-chlorophenyl)acetyl]amino]carbamoyl]-N,N-diethyl-2-methylbenzenesulfonamide
PubChem CID26657357
Molecular FormulaC20H24ClN3O4S
Molecular Weight437.95 g/mol
Exact Mass437.12
IUPAC Name5-[[[2-(4-chlorophenyl)acetyl]amino]carbamoyl]-N,N-diethyl-2-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)ccc1C
InChIInChI=1S/C20H24ClN3O4S/c1-4-24(5-2)29(27,28)18-13-16(9-6-14(18)3)20(26)23-22-19(25)12-15-7-10-17(21)11-8-15/h6-11,13H,4-5,12H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyMHPDRFJNYCHQKS-UHFFFAOYSA-N
XLogP2.68
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-5-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]-2-methylbenzenesulfonamide
CID 17475869
2-(4-chlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 7689008
N,N-diethyl-2-methyl-5-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2648443
N'-[2-(4-chlorophenyl)acetyl]-3,4-dimethylbenzohydrazide
CID 78784923
N-[(4-chlorophenyl)methyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 27773808
3-bromo-N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
CID 4936804
N-(4-chloro-2-fluorophenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 26409898
(4-chlorophenyl) 3-(diethylsulfamoyl)-4-methylbenzoate
CID 1381664
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2545780
N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
CID 4936719
3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide
CID 27231281
3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(4-chlorophenyl)acetyl]amino]carbamoyl]-N,N-diethyl-2-methylbenzenesulfonamide?
The IUPAC name of 5-[[[2-(4-chlorophenyl)acetyl]amino]carbamoyl]-N,N-diethyl-2-methylbenzenesulfonamide (CID 26657357) is 5-[[[2-(4-chlorophenyl)acetyl]amino]carbamoyl]-N,N-diethyl-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-[[[2-(4-chlorophenyl)acetyl]amino]carbamoyl]-N,N-diethyl-2-methylbenzenesulfonamide?
The canonical SMILES for 5-[[[2-(4-chlorophenyl)acetyl]amino]carbamoyl]-N,N-diethyl-2-methylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)ccc1C.
What is the InChIKey of 5-[[[2-(4-chlorophenyl)acetyl]amino]carbamoyl]-N,N-diethyl-2-methylbenzenesulfonamide?
The InChIKey is MHPDRFJNYCHQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4S/c1-4-24(5-2)29(27,28)18-13-16(9-6-14(18)3)20(26)23-22-19(25)12-15-7-10-17(21)11-8-15/h6-11,13H,4-5,12H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 5-[[[2-(4-chlorophenyl)acetyl]amino]carbamoyl]-N,N-diethyl-2-methylbenzenesulfonamide?
5-[[[2-(4-chlorophenyl)acetyl]amino]carbamoyl]-N,N-diethyl-2-methylbenzenesulfonamide has a molecular weight of 437.95 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(4-chlorophenyl)acetyl]amino]carbamoyl]-N,N-diethyl-2-methylbenzenesulfonamide is sourced from PubChem (CID 26657357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).