2-[(1R)-1-butoxyethyl]-5-methoxy-N-methylsulfonylbenzamide

C15H23NO5S — CID 177492476

IUPAC2-[(1R)-1-butoxyethyl]-5-methoxy-N-methylsulfonylbenzamide
SMILESCCCCO[C@H](C)c1ccc(OC)cc1C(=O)NS(C)(=O)=O
InChIInChI=1S/C15H23NO5S/c1-5-6-9-21-11(2)13-8-7-12(20-3)10-14(13)15(17)16-22(4,18)19/h7-8,10-11H,5-6,9H2,1-4H3,(H,16,17)/t11-/m1/s1
InChIKeyYMSNTIQDOLSEGL-LLVKDONJSA-N
MW329.42 g/mol
LogP2.26
Rot. Bonds8

About 2-[(1R)-1-butoxyethyl]-5-methoxy-N-methylsulfonylbenzamide

2-[(1R)-1-butoxyethyl]-5-methoxy-N-methylsulfonylbenzamide (PubChem CID 177492476) has the molecular formula C15H23NO5S and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-[(1R)-1-butoxyethyl]-5-methoxy-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-[(1R)-1-butoxyethyl]-5-methoxy-N-methylsulfonylbenzamide
PubChem CID177492476
Molecular FormulaC15H23NO5S
Molecular Weight329.42 g/mol
Exact Mass329.13
IUPAC Name2-[(1R)-1-butoxyethyl]-5-methoxy-N-methylsulfonylbenzamide
SMILESCCCCO[C@H](C)c1ccc(OC)cc1C(=O)NS(C)(=O)=O
InChIInChI=1S/C15H23NO5S/c1-5-6-9-21-11(2)13-8-7-12(20-3)10-14(13)15(17)16-22(4,18)19/h7-8,10-11H,5-6,9H2,1-4H3,(H,16,17)/t11-/m1/s1
InChIKeyYMSNTIQDOLSEGL-LLVKDONJSA-N
XLogP2.26
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-butoxyethyl]-4-methoxybenzene
CID 102525034
N-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide
CID 23064668
2-[1-(butylamino)ethyl]-5-methoxyphenol
CID 43200995
1-(2-butoxy-5-methoxyphenyl)propane-1,2-dione
CID 156703603
2-heptoxy-1-(4-methoxyphenyl)propan-1-one
CID 43800113
4-(4-methoxyphenoxy)-N-methylsulfonylbenzamide
CID 66767279
2-butoxy-5-methoxybenzoic acid
CID 43213162
2-(6-methoxynaphthalen-2-yl)-N-methylsulfonylbutanamide
CID 129056877
N-[bis(4-methoxyphenyl)methyl]-2-butoxypropanamide
CID 48658410
N'-(4-hexoxybenzoyl)-2,5-dimethoxybenzohydrazide
CID 24677398
4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 42942710
2-[1-(hexan-2-ylamino)ethyl]-5-methoxyphenol
CID 62196423

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-butoxyethyl]-5-methoxy-N-methylsulfonylbenzamide?
The IUPAC name of 2-[(1R)-1-butoxyethyl]-5-methoxy-N-methylsulfonylbenzamide (CID 177492476) is 2-[(1R)-1-butoxyethyl]-5-methoxy-N-methylsulfonylbenzamide.
What is the SMILES notation for 2-[(1R)-1-butoxyethyl]-5-methoxy-N-methylsulfonylbenzamide?
The canonical SMILES for 2-[(1R)-1-butoxyethyl]-5-methoxy-N-methylsulfonylbenzamide is CCCCO[C@H](C)c1ccc(OC)cc1C(=O)NS(C)(=O)=O.
What is the InChIKey of 2-[(1R)-1-butoxyethyl]-5-methoxy-N-methylsulfonylbenzamide?
The InChIKey is YMSNTIQDOLSEGL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23NO5S/c1-5-6-9-21-11(2)13-8-7-12(20-3)10-14(13)15(17)16-22(4,18)19/h7-8,10-11H,5-6,9H2,1-4H3,(H,16,17)/t11-/m1/s1.
What are the key properties of 2-[(1R)-1-butoxyethyl]-5-methoxy-N-methylsulfonylbenzamide?
2-[(1R)-1-butoxyethyl]-5-methoxy-N-methylsulfonylbenzamide has a molecular weight of 329.42 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-butoxyethyl]-5-methoxy-N-methylsulfonylbenzamide is sourced from PubChem (CID 177492476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).