(2S)-2-(benzenesulfonamido)-N-[[3-(dimethylamino)phenyl]methyl]propanamide

C18H23N3O3S — CID 60608615

IUPAC(2S)-2-(benzenesulfonamido)-N-[[3-(dimethylamino)phenyl]methyl]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1cccc(N(C)C)c1
InChIInChI=1S/C18H23N3O3S/c1-14(20-25(23,24)17-10-5-4-6-11-17)18(22)19-13-15-8-7-9-16(12-15)21(2)3/h4-12,14,20H,13H2,1-3H3,(H,19,22)/t14-/m0/s1
InChIKeyBUHYTSUXKUADJX-AWEZNQCLSA-N
MW361.47 g/mol
LogP1.74
Rot. Bonds7

About (2S)-2-(benzenesulfonamido)-N-[[3-(dimethylamino)phenyl]methyl]propanamide

(2S)-2-(benzenesulfonamido)-N-[[3-(dimethylamino)phenyl]methyl]propanamide (PubChem CID 60608615) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-N-[[3-(dimethylamino)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-N-[[3-(dimethylamino)phenyl]methyl]propanamide
PubChem CID60608615
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name(2S)-2-(benzenesulfonamido)-N-[[3-(dimethylamino)phenyl]methyl]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1cccc(N(C)C)c1
InChIInChI=1S/C18H23N3O3S/c1-14(20-25(23,24)17-10-5-4-6-11-17)18(22)19-13-15-8-7-9-16(12-15)21(2)3/h4-12,14,20H,13H2,1-3H3,(H,19,22)/t14-/m0/s1
InChIKeyBUHYTSUXKUADJX-AWEZNQCLSA-N
XLogP1.74
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[[3-[[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]methyl]phenyl]methyl]propanamide
CID 23246044
(2S)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide
CID 41330945
(2S)-N-benzyl-2-[(4-tert-butylphenyl)sulfonylamino]propanamide
CID 9041047
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 55938698
N-[[3-(dimethylamino)phenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86935244
4-[[3-(dimethylamino)phenyl]sulfonylamino]-5-phenylpentanoic acid
CID 120605787
N-benzyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide
CID 42909960
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3-ethoxyphenyl)methyl]propanamide
CID 55939954
2-(methylamino)-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 62638953
4-[[(2S)-1-[(3-cyanophenyl)methylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide
CID 96542965
N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 60556598
1-[[3-(dimethylamino)phenyl]methyl]-3-phenylurea
CID 110472246

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-N-[[3-(dimethylamino)phenyl]methyl]propanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-N-[[3-(dimethylamino)phenyl]methyl]propanamide (CID 60608615) is (2S)-2-(benzenesulfonamido)-N-[[3-(dimethylamino)phenyl]methyl]propanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-N-[[3-(dimethylamino)phenyl]methyl]propanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-N-[[3-(dimethylamino)phenyl]methyl]propanamide is C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1cccc(N(C)C)c1.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-N-[[3-(dimethylamino)phenyl]methyl]propanamide?
The InChIKey is BUHYTSUXKUADJX-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-14(20-25(23,24)17-10-5-4-6-11-17)18(22)19-13-15-8-7-9-16(12-15)21(2)3/h4-12,14,20H,13H2,1-3H3,(H,19,22)/t14-/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-N-[[3-(dimethylamino)phenyl]methyl]propanamide?
(2S)-2-(benzenesulfonamido)-N-[[3-(dimethylamino)phenyl]methyl]propanamide has a molecular weight of 361.47 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-N-[[3-(dimethylamino)phenyl]methyl]propanamide is sourced from PubChem (CID 60608615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).