4-[2-(methanesulfonamido)ethyl]-N-[(1S)-1-pyridin-4-ylethyl]benzamide

C17H21N3O3S — CID 30480070

IUPAC4-[2-(methanesulfonamido)ethyl]-N-[(1S)-1-pyridin-4-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1ccncc1
InChIInChI=1S/C17H21N3O3S/c1-13(15-8-10-18-11-9-15)20-17(21)16-5-3-14(4-6-16)7-12-19-24(2,22)23/h3-6,8-11,13,19H,7,12H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyVLRHSUWLTRLYIO-ZDUSSCGKSA-N
MW347.44 g/mol
LogP1.66
Rot. Bonds7

About 4-[2-(methanesulfonamido)ethyl]-N-[(1S)-1-pyridin-4-ylethyl]benzamide

4-[2-(methanesulfonamido)ethyl]-N-[(1S)-1-pyridin-4-ylethyl]benzamide (PubChem CID 30480070) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-[2-(methanesulfonamido)ethyl]-N-[(1S)-1-pyridin-4-ylethyl]benzamide.

Molecular Properties

Compound Name4-[2-(methanesulfonamido)ethyl]-N-[(1S)-1-pyridin-4-ylethyl]benzamide
PubChem CID30480070
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name4-[2-(methanesulfonamido)ethyl]-N-[(1S)-1-pyridin-4-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1ccncc1
InChIInChI=1S/C17H21N3O3S/c1-13(15-8-10-18-11-9-15)20-17(21)16-5-3-14(4-6-16)7-12-19-24(2,22)23/h3-6,8-11,13,19H,7,12H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyVLRHSUWLTRLYIO-ZDUSSCGKSA-N
XLogP1.66
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(methanesulfonamido)ethyl]-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 42921742
3-(methanesulfonamido)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 94149516
4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide
CID 17330741
N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 6466147
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
4-[2-(methanesulfonamido)ethyl]-N-(4-propan-2-ylphenyl)benzamide
CID 27007439
4-(butan-2-ylsulfamoyl)-N-(1-pyridin-4-ylethyl)benzamide
CID 51164261
4-benzoyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40513318
4-[2-(methanesulfonamido)ethyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 27017885
3-(4-chlorophenyl)-3-[[4-[2-(methanesulfonamido)ethyl]benzoyl]amino]propanoic acid
CID 167882502
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
4-nitro-N-(1-pyridin-4-ylethyl)benzamide
CID 17330712

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methanesulfonamido)ethyl]-N-[(1S)-1-pyridin-4-ylethyl]benzamide?
The IUPAC name of 4-[2-(methanesulfonamido)ethyl]-N-[(1S)-1-pyridin-4-ylethyl]benzamide (CID 30480070) is 4-[2-(methanesulfonamido)ethyl]-N-[(1S)-1-pyridin-4-ylethyl]benzamide.
What is the SMILES notation for 4-[2-(methanesulfonamido)ethyl]-N-[(1S)-1-pyridin-4-ylethyl]benzamide?
The canonical SMILES for 4-[2-(methanesulfonamido)ethyl]-N-[(1S)-1-pyridin-4-ylethyl]benzamide is C[C@H](NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1ccncc1.
What is the InChIKey of 4-[2-(methanesulfonamido)ethyl]-N-[(1S)-1-pyridin-4-ylethyl]benzamide?
The InChIKey is VLRHSUWLTRLYIO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-13(15-8-10-18-11-9-15)20-17(21)16-5-3-14(4-6-16)7-12-19-24(2,22)23/h3-6,8-11,13,19H,7,12H2,1-2H3,(H,20,21)/t13-/m0/s1.
What are the key properties of 4-[2-(methanesulfonamido)ethyl]-N-[(1S)-1-pyridin-4-ylethyl]benzamide?
4-[2-(methanesulfonamido)ethyl]-N-[(1S)-1-pyridin-4-ylethyl]benzamide has a molecular weight of 347.44 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methanesulfonamido)ethyl]-N-[(1S)-1-pyridin-4-ylethyl]benzamide is sourced from PubChem (CID 30480070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).