3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)pentyl]propanamide

C16H26N2O4S — CID 95151859

IUPAC3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)pentyl]propanamide
SMILESCCCC[C@@H](NC(=O)CCNS(C)(=O)=O)c1ccc(OC)cc1
InChIInChI=1S/C16H26N2O4S/c1-4-5-6-15(13-7-9-14(22-2)10-8-13)18-16(19)11-12-17-23(3,20)21/h7-10,15,17H,4-6,11-12H2,1-3H3,(H,18,19)/t15-/m1/s1
InChIKeyCHRRTYQNHMJSKP-OAHLLOKOSA-N
MW342.46 g/mol
LogP1.98
Rot. Bonds10

About 3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)pentyl]propanamide

3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)pentyl]propanamide (PubChem CID 95151859) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)pentyl]propanamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)pentyl]propanamide
PubChem CID95151859
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)pentyl]propanamide
SMILESCCCC[C@@H](NC(=O)CCNS(C)(=O)=O)c1ccc(OC)cc1
InChIInChI=1S/C16H26N2O4S/c1-4-5-6-15(13-7-9-14(22-2)10-8-13)18-16(19)11-12-17-23(3,20)21/h7-10,15,17H,4-6,11-12H2,1-3H3,(H,18,19)/t15-/m1/s1
InChIKeyCHRRTYQNHMJSKP-OAHLLOKOSA-N
XLogP1.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(4-methoxyphenyl)pentyl]acetamide;hydrochloride
CID 119318115
N-[(1R)-1-(4-methoxyphenyl)pentyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 95156218
5-[1-(4-methoxyphenyl)pentylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 119114121
3-[1-(4-methoxyphenyl)pentylcarbamoyl-methylamino]propanoic acid
CID 122000751
N-[1-(4-methoxyphenyl)pentyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119774273
4-amino-N-[1-(4-methoxyphenyl)propyl]butanamide
CID 43708620
4-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]benzamide
CID 119318120
3-(4-methoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 100592426
3-[1-(4-methoxyphenyl)pentylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122000754
3-(methanesulfonamido)-3-(4-methoxyphenyl)propanoic acid
CID 112509655
(2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]oxolane-2-carboxamide
CID 120792152
3-amino-N-[1-(4-methoxyphenyl)pentyl]cyclopentane-1-carboxamide
CID 119774262

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)pentyl]propanamide?
The IUPAC name of 3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)pentyl]propanamide (CID 95151859) is 3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)pentyl]propanamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)pentyl]propanamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)pentyl]propanamide is CCCC[C@@H](NC(=O)CCNS(C)(=O)=O)c1ccc(OC)cc1.
What is the InChIKey of 3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)pentyl]propanamide?
The InChIKey is CHRRTYQNHMJSKP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-4-5-6-15(13-7-9-14(22-2)10-8-13)18-16(19)11-12-17-23(3,20)21/h7-10,15,17H,4-6,11-12H2,1-3H3,(H,18,19)/t15-/m1/s1.
What are the key properties of 3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)pentyl]propanamide?
3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)pentyl]propanamide has a molecular weight of 342.46 g/mol, XLogP of 1.98, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)pentyl]propanamide is sourced from PubChem (CID 95151859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).