N-[3-[[3-(benzenesulfonamido)propanoylamino]methyl]phenyl]-2-methylpropanamide

C20H25N3O4S — CID 33021299

IUPACN-[3-[[3-(benzenesulfonamido)propanoylamino]methyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(CNC(=O)CCNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H25N3O4S/c1-15(2)20(25)23-17-8-6-7-16(13-17)14-21-19(24)11-12-22-28(26,27)18-9-4-3-5-10-18/h3-10,13,15,22H,11-12,14H2,1-2H3,(H,21,24)(H,23,25)
InChIKeyXGXIGYXHPGGJKS-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.27
Rot. Bonds9

About N-[3-[[3-(benzenesulfonamido)propanoylamino]methyl]phenyl]-2-methylpropanamide

N-[3-[[3-(benzenesulfonamido)propanoylamino]methyl]phenyl]-2-methylpropanamide (PubChem CID 33021299) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[3-[[3-(benzenesulfonamido)propanoylamino]methyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[[3-(benzenesulfonamido)propanoylamino]methyl]phenyl]-2-methylpropanamide
PubChem CID33021299
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-[3-[[3-(benzenesulfonamido)propanoylamino]methyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(CNC(=O)CCNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H25N3O4S/c1-15(2)20(25)23-17-8-6-7-16(13-17)14-21-19(24)11-12-22-28(26,27)18-9-4-3-5-10-18/h3-10,13,15,22H,11-12,14H2,1-2H3,(H,21,24)(H,23,25)
InChIKeyXGXIGYXHPGGJKS-UHFFFAOYSA-N
XLogP2.27
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-acetamidophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]propanamide
CID 55694254
N-[3-[(3-chloropropanoylamino)methyl]phenyl]-2-methylpropanamide
CID 43347121
4-tert-butyl-N-[3-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropyl]benzamide
CID 33024025
N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 33023181
N-[3-[[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]furan-2-carboxamide
CID 55638477
4-(3,4-dimethylphenyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-4-oxobutanamide
CID 33022919
N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide
CID 38884339
3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9246179
N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 26534767
3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide
CID 9412312
3-(benzenesulfonamido)-N-(4-phenylbutan-2-yl)propanamide
CID 17225917
3-(benzenesulfonamido)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 46417093

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(benzenesulfonamido)propanoylamino]methyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[[3-(benzenesulfonamido)propanoylamino]methyl]phenyl]-2-methylpropanamide (CID 33021299) is N-[3-[[3-(benzenesulfonamido)propanoylamino]methyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[[3-(benzenesulfonamido)propanoylamino]methyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[[3-(benzenesulfonamido)propanoylamino]methyl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(CNC(=O)CCNS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[[3-(benzenesulfonamido)propanoylamino]methyl]phenyl]-2-methylpropanamide?
The InChIKey is XGXIGYXHPGGJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-15(2)20(25)23-17-8-6-7-16(13-17)14-21-19(24)11-12-22-28(26,27)18-9-4-3-5-10-18/h3-10,13,15,22H,11-12,14H2,1-2H3,(H,21,24)(H,23,25).
What are the key properties of N-[3-[[3-(benzenesulfonamido)propanoylamino]methyl]phenyl]-2-methylpropanamide?
N-[3-[[3-(benzenesulfonamido)propanoylamino]methyl]phenyl]-2-methylpropanamide has a molecular weight of 403.50 g/mol, XLogP of 2.27, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(benzenesulfonamido)propanoylamino]methyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 33021299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).