2-(2-chlorophenyl)-N-[4-(3-methylpyrrolidine-1-carbonyl)-3-sulfamoylphenyl]acetamide

C20H22ClN3O4S — CID 134588175

IUPAC2-(2-chlorophenyl)-N-[4-(3-methylpyrrolidine-1-carbonyl)-3-sulfamoylphenyl]acetamide
SMILESCC1CCN(C(=O)c2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)(=O)=O)C1
InChIInChI=1S/C20H22ClN3O4S/c1-13-8-9-24(12-13)20(26)16-7-6-15(11-18(16)29(22,27)28)23-19(25)10-14-4-2-3-5-17(14)21/h2-7,11,13H,8-10,12H2,1H3,(H,23,25)(H2,22,27,28)
InChIKeyVCZSCJSMHHLOGT-UHFFFAOYSA-N
MW435.93 g/mol
LogP2.65
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[4-(3-methylpyrrolidine-1-carbonyl)-3-sulfamoylphenyl]acetamide

2-(2-chlorophenyl)-N-[4-(3-methylpyrrolidine-1-carbonyl)-3-sulfamoylphenyl]acetamide (PubChem CID 134588175) has the molecular formula C20H22ClN3O4S and a molecular weight of 435.93 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-(3-methylpyrrolidine-1-carbonyl)-3-sulfamoylphenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-(3-methylpyrrolidine-1-carbonyl)-3-sulfamoylphenyl]acetamide
PubChem CID134588175
Molecular FormulaC20H22ClN3O4S
Molecular Weight435.93 g/mol
Exact Mass435.10
IUPAC Name2-(2-chlorophenyl)-N-[4-(3-methylpyrrolidine-1-carbonyl)-3-sulfamoylphenyl]acetamide
SMILESCC1CCN(C(=O)c2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)(=O)=O)C1
InChIInChI=1S/C20H22ClN3O4S/c1-13-8-9-24(12-13)20(26)16-7-6-15(11-18(16)29(22,27)28)23-19(25)10-14-4-2-3-5-17(14)21/h2-7,11,13H,8-10,12H2,1H3,(H,23,25)(H2,22,27,28)
InChIKeyVCZSCJSMHHLOGT-UHFFFAOYSA-N
XLogP2.65
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.93
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide
CID 134604003
2-(2-chlorophenyl)-N-[4-(hydroxymethyl)-3-sulfamoylphenyl]acetamide
CID 167200814
4-[[2-(2-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfamoylbenzamide
CID 134603951
N-[4-(3-amino-4,4,4-trifluoro-1-methyliminobut-2-en-2-yl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide
CID 163625310
2-(2-chlorophenyl)-N-[4-(oxetan-3-ylmethoxymethyl)-3-sulfamoylphenyl]acetamide
CID 164596482
2-(2-chlorophenyl)-N-[4-[[4-(3-oxocyclopentyl)phenyl]methyl]-3-sulfamoylphenyl]acetamide
CID 159529468
2-(2-chlorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107371
2-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide
CID 122299697
2-(2-chlorophenyl)-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide
CID 56510698
N-[4-[1-amino-3-[2-(trifluoromethoxy)ethylimino]prop-1-en-2-yl]-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide
CID 167629529
N-[4-(2-azabicyclo[2.2.1]heptan-5-yloxymethyl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide
CID 164596506
2-(2-chlorophenyl)-N-[4-[(4,5-dichloro-1-methylpyrazol-3-yl)oxymethyl]-3-sulfamoylphenyl]acetamide
CID 164596484

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-(3-methylpyrrolidine-1-carbonyl)-3-sulfamoylphenyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-(3-methylpyrrolidine-1-carbonyl)-3-sulfamoylphenyl]acetamide (CID 134588175) is 2-(2-chlorophenyl)-N-[4-(3-methylpyrrolidine-1-carbonyl)-3-sulfamoylphenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-(3-methylpyrrolidine-1-carbonyl)-3-sulfamoylphenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-(3-methylpyrrolidine-1-carbonyl)-3-sulfamoylphenyl]acetamide is CC1CCN(C(=O)c2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)(=O)=O)C1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-(3-methylpyrrolidine-1-carbonyl)-3-sulfamoylphenyl]acetamide?
The InChIKey is VCZSCJSMHHLOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4S/c1-13-8-9-24(12-13)20(26)16-7-6-15(11-18(16)29(22,27)28)23-19(25)10-14-4-2-3-5-17(14)21/h2-7,11,13H,8-10,12H2,1H3,(H,23,25)(H2,22,27,28).
What are the key properties of 2-(2-chlorophenyl)-N-[4-(3-methylpyrrolidine-1-carbonyl)-3-sulfamoylphenyl]acetamide?
2-(2-chlorophenyl)-N-[4-(3-methylpyrrolidine-1-carbonyl)-3-sulfamoylphenyl]acetamide has a molecular weight of 435.93 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[4-(3-methylpyrrolidine-1-carbonyl)-3-sulfamoylphenyl]acetamide is sourced from PubChem (CID 134588175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).