N-[(3-acetamidophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]propanamide

C18H20ClN3O4S — CID 55694254

IUPACN-[(3-acetamidophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]propanamide
SMILESCC(=O)Nc1cccc(CNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H20ClN3O4S/c1-13(23)22-16-6-2-4-14(10-16)12-20-18(24)8-9-21-27(25,26)17-7-3-5-15(19)11-17/h2-7,10-11,21H,8-9,12H2,1H3,(H,20,24)(H,22,23)
InChIKeyRTKXUYOSAPDBNE-UHFFFAOYSA-N
MW409.90 g/mol
LogP2.28
Rot. Bonds8

About N-[(3-acetamidophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]propanamide

N-[(3-acetamidophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]propanamide (PubChem CID 55694254) has the molecular formula C18H20ClN3O4S and a molecular weight of 409.90 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]propanamide
PubChem CID55694254
Molecular FormulaC18H20ClN3O4S
Molecular Weight409.90 g/mol
Exact Mass409.09
IUPAC NameN-[(3-acetamidophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]propanamide
SMILESCC(=O)Nc1cccc(CNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H20ClN3O4S/c1-13(23)22-16-6-2-4-14(10-16)12-20-18(24)8-9-21-27(25,26)17-7-3-5-15(19)11-17/h2-7,10-11,21H,8-9,12H2,1H3,(H,20,24)(H,22,23)
InChIKeyRTKXUYOSAPDBNE-UHFFFAOYSA-N
XLogP2.28
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[3-(benzenesulfonamido)propanoylamino]methyl]phenyl]-2-methylpropanamide
CID 33021299
3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
CID 35511627
N-[(3-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 7478439
4-[3-[(3-chlorophenyl)sulfonylamino]propanoylamino]benzamide
CID 26636174
N-(4-acetamidophenyl)-2-[(3-chlorophenyl)sulfonylamino]acetamide
CID 112999785
3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389
N-[(3-acetamidophenyl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 39573261
N-(3-chlorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 26578624
3-[(3-chlorophenyl)sulfonylamino]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 56558319
3-[(3-chlorophenyl)sulfonylamino]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
CID 38529778
N-[3-[[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]furan-2-carboxamide
CID 55638477
3-[(3-acetylphenyl)sulfonylamino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 46467072

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-[(3-acetamidophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]propanamide (CID 55694254) is N-[(3-acetamidophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[(3-acetamidophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[(3-acetamidophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]propanamide is CC(=O)Nc1cccc(CNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of N-[(3-acetamidophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]propanamide?
The InChIKey is RTKXUYOSAPDBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4S/c1-13(23)22-16-6-2-4-14(10-16)12-20-18(24)8-9-21-27(25,26)17-7-3-5-15(19)11-17/h2-7,10-11,21H,8-9,12H2,1H3,(H,20,24)(H,22,23).
What are the key properties of N-[(3-acetamidophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]propanamide?
N-[(3-acetamidophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]propanamide has a molecular weight of 409.90 g/mol, XLogP of 2.28, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamidophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55694254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).