(2S)-2-(benzenesulfonamido)-N,N-dibenzylpropanamide

C23H24N2O3S — CID 41330771

IUPAC(2S)-2-(benzenesulfonamido)-N,N-dibenzylpropanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H24N2O3S/c1-19(24-29(27,28)22-15-9-4-10-16-22)23(26)25(17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-16,19,24H,17-18H2,1H3/t19-/m0/s1
InChIKeyREJNNLUBHYQJDQ-IBGZPJMESA-N
MW408.52 g/mol
LogP3.58
Rot. Bonds8

About (2S)-2-(benzenesulfonamido)-N,N-dibenzylpropanamide

(2S)-2-(benzenesulfonamido)-N,N-dibenzylpropanamide (PubChem CID 41330771) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-N,N-dibenzylpropanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-N,N-dibenzylpropanamide
PubChem CID41330771
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name(2S)-2-(benzenesulfonamido)-N,N-dibenzylpropanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H24N2O3S/c1-19(24-29(27,28)22-15-9-4-10-16-22)23(26)25(17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-16,19,24H,17-18H2,1H3/t19-/m0/s1
InChIKeyREJNNLUBHYQJDQ-IBGZPJMESA-N
XLogP3.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886149
2-(benzenesulfonyl)-N,N-dibenzylpropanamide
CID 112779733
(2S)-N-benzyl-N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 56536513
N-(3-oxobutan-2-yl)benzenesulfonamide
CID 64994182
(2S)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide
CID 41330945
N-benzyl-N-propyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 46533772
(2R)-2-(benzenesulfonamido)propanamide
CID 970705
methyl (2S)-2-(benzenesulfonamido)propanoate
CID 10857687
N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide
CID 13293562
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 55347038
2-(benzenesulfonamido)-N-propan-2-ylpropanamide
CID 3279426
(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-N,N-dibenzylpropanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-N,N-dibenzylpropanamide (CID 41330771) is (2S)-2-(benzenesulfonamido)-N,N-dibenzylpropanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-N,N-dibenzylpropanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-N,N-dibenzylpropanamide is C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-N,N-dibenzylpropanamide?
The InChIKey is REJNNLUBHYQJDQ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-19(24-29(27,28)22-15-9-4-10-16-22)23(26)25(17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-16,19,24H,17-18H2,1H3/t19-/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-N,N-dibenzylpropanamide?
(2S)-2-(benzenesulfonamido)-N,N-dibenzylpropanamide has a molecular weight of 408.52 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-N,N-dibenzylpropanamide is sourced from PubChem (CID 41330771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).