2-(benzenesulfonamido)-N-[3-(N-methylanilino)propyl]-3-phenylpropanamide

C25H29N3O3S — CID 173172130

IUPAC2-(benzenesulfonamido)-N-[3-(N-methylanilino)propyl]-3-phenylpropanamide
SMILESCN(CCCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29N3O3S/c1-28(22-14-7-3-8-15-22)19-11-18-26-25(29)24(20-21-12-5-2-6-13-21)27-32(30,31)23-16-9-4-10-17-23/h2-10,12-17,24,27H,11,18-20H2,1H3,(H,26,29)
InChIKeyUOEAWQVRYLLDJJ-UHFFFAOYSA-N
MW451.59 g/mol
LogP3.22
Rot. Bonds11

About 2-(benzenesulfonamido)-N-[3-(N-methylanilino)propyl]-3-phenylpropanamide

2-(benzenesulfonamido)-N-[3-(N-methylanilino)propyl]-3-phenylpropanamide (PubChem CID 173172130) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[3-(N-methylanilino)propyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[3-(N-methylanilino)propyl]-3-phenylpropanamide
PubChem CID173172130
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC Name2-(benzenesulfonamido)-N-[3-(N-methylanilino)propyl]-3-phenylpropanamide
SMILESCN(CCCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29N3O3S/c1-28(22-14-7-3-8-15-22)19-11-18-26-25(29)24(20-21-12-5-2-6-13-21)27-32(30,31)23-16-9-4-10-17-23/h2-10,12-17,24,27H,11,18-20H2,1H3,(H,26,29)
InChIKeyUOEAWQVRYLLDJJ-UHFFFAOYSA-N
XLogP3.22
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(N-methylanilino)propyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
CID 20865835
(2S)-N-butyl-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide
CID 40601003
2-[(4-fluorophenyl)sulfonylamino]-N-heptyl-3-phenylpropanamide
CID 20967531
2-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43871187
(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
CID 7030623
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide
CID 41374224
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)-3-phenylpropanamide
CID 30167382
2-[(4-methylphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 3578188
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890705
1-benzyl-3-[3-(N-methylanilino)propyl]urea
CID 3497237
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 28540557
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-phenylpropanamide
CID 94861743

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[3-(N-methylanilino)propyl]-3-phenylpropanamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[3-(N-methylanilino)propyl]-3-phenylpropanamide (CID 173172130) is 2-(benzenesulfonamido)-N-[3-(N-methylanilino)propyl]-3-phenylpropanamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[3-(N-methylanilino)propyl]-3-phenylpropanamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[3-(N-methylanilino)propyl]-3-phenylpropanamide is CN(CCCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonamido)-N-[3-(N-methylanilino)propyl]-3-phenylpropanamide?
The InChIKey is UOEAWQVRYLLDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S/c1-28(22-14-7-3-8-15-22)19-11-18-26-25(29)24(20-21-12-5-2-6-13-21)27-32(30,31)23-16-9-4-10-17-23/h2-10,12-17,24,27H,11,18-20H2,1H3,(H,26,29).
What are the key properties of 2-(benzenesulfonamido)-N-[3-(N-methylanilino)propyl]-3-phenylpropanamide?
2-(benzenesulfonamido)-N-[3-(N-methylanilino)propyl]-3-phenylpropanamide has a molecular weight of 451.59 g/mol, XLogP of 3.22, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[3-(N-methylanilino)propyl]-3-phenylpropanamide is sourced from PubChem (CID 173172130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).