3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-propan-2-yloxypropyl)propanamide

C17H28N2O5S — CID 133255472

IUPAC3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-propan-2-yloxypropyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCCCOC(C)C)NS(C)(=O)=O)cc1
InChIInChI=1S/C17H28N2O5S/c1-13(2)24-11-5-10-18-17(20)12-16(19-25(4,21)22)14-6-8-15(23-3)9-7-14/h6-9,13,16,19H,5,10-12H2,1-4H3,(H,18,20)
InChIKeyPMQNLSSTRGUPCO-UHFFFAOYSA-N
MW372.49 g/mol
LogP1.61
Rot. Bonds11

About 3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-propan-2-yloxypropyl)propanamide

3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-propan-2-yloxypropyl)propanamide (PubChem CID 133255472) has the molecular formula C17H28N2O5S and a molecular weight of 372.49 g/mol. Its IUPAC name is 3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-propan-2-yloxypropyl)propanamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-propan-2-yloxypropyl)propanamide
PubChem CID133255472
Molecular FormulaC17H28N2O5S
Molecular Weight372.49 g/mol
Exact Mass372.17
IUPAC Name3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-propan-2-yloxypropyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCCCOC(C)C)NS(C)(=O)=O)cc1
InChIInChI=1S/C17H28N2O5S/c1-13(2)24-11-5-10-18-17(20)12-16(19-25(4,21)22)14-6-8-15(23-3)9-7-14/h6-9,13,16,19H,5,10-12H2,1-4H3,(H,18,20)
InChIKeyPMQNLSSTRGUPCO-UHFFFAOYSA-N
XLogP1.61
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100784179
(3R)-N-[(2R)-butan-2-yl]-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784235
3-(methanesulfonamido)-3-(4-methoxyphenyl)propanoic acid
CID 112509655
(3S)-N-(3-ethoxypropyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100783250
N-tert-butyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133241816
3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 133255422
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 32686708
(3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100783542
N,N-diethyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133255458
N-(furan-2-ylmethyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133255406
3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]propanamide
CID 133255364
(3S)-N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784326

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-propan-2-yloxypropyl)propanamide?
The IUPAC name of 3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-propan-2-yloxypropyl)propanamide (CID 133255472) is 3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-propan-2-yloxypropyl)propanamide.
What is the SMILES notation for 3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-propan-2-yloxypropyl)propanamide?
The canonical SMILES for 3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-propan-2-yloxypropyl)propanamide is COc1ccc(C(CC(=O)NCCCOC(C)C)NS(C)(=O)=O)cc1.
What is the InChIKey of 3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-propan-2-yloxypropyl)propanamide?
The InChIKey is PMQNLSSTRGUPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O5S/c1-13(2)24-11-5-10-18-17(20)12-16(19-25(4,21)22)14-6-8-15(23-3)9-7-14/h6-9,13,16,19H,5,10-12H2,1-4H3,(H,18,20).
What are the key properties of 3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-propan-2-yloxypropyl)propanamide?
3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-propan-2-yloxypropyl)propanamide has a molecular weight of 372.49 g/mol, XLogP of 1.61, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-propan-2-yloxypropyl)propanamide is sourced from PubChem (CID 133255472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).