N-[3-(tert-butylsulfamoyl)phenyl]-2-(oxolan-2-ylmethoxy)propanamide

C18H28N2O5S — CID 48849651

IUPACN-[3-(tert-butylsulfamoyl)phenyl]-2-(oxolan-2-ylmethoxy)propanamide
SMILESCC(OCC1CCCO1)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C18H28N2O5S/c1-13(25-12-15-8-6-10-24-15)17(21)19-14-7-5-9-16(11-14)26(22,23)20-18(2,3)4/h5,7,9,11,13,15,20H,6,8,10,12H2,1-4H3,(H,19,21)
InChIKeyFZXDONAIRLZCQN-UHFFFAOYSA-N
MW384.50 g/mol
LogP2.29
Rot. Bonds7

About N-[3-(tert-butylsulfamoyl)phenyl]-2-(oxolan-2-ylmethoxy)propanamide

N-[3-(tert-butylsulfamoyl)phenyl]-2-(oxolan-2-ylmethoxy)propanamide (PubChem CID 48849651) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[3-(tert-butylsulfamoyl)phenyl]-2-(oxolan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-[3-(tert-butylsulfamoyl)phenyl]-2-(oxolan-2-ylmethoxy)propanamide
PubChem CID48849651
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC NameN-[3-(tert-butylsulfamoyl)phenyl]-2-(oxolan-2-ylmethoxy)propanamide
SMILESCC(OCC1CCCO1)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C18H28N2O5S/c1-13(25-12-15-8-6-10-24-15)17(21)19-14-7-5-9-16(11-14)26(22,23)20-18(2,3)4/h5,7,9,11,13,15,20H,6,8,10,12H2,1-4H3,(H,19,21)
InChIKeyFZXDONAIRLZCQN-UHFFFAOYSA-N
XLogP2.29
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(oxan-2-ylmethoxy)propanoylamino]benzoic acid
CID 119219567
(2S)-N-(3-methylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269998
N-(3-methylphenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
CID 75417596
(2R)-N-(3-chlorophenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269990
N-(3-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
CID 71884570
4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672
(2R)-N-(3-cyanophenyl)sulfonyl-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 95270061
N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48845435
(2R)-N-naphthalen-2-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269930
(2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95272601
N-(3-cyanophenyl)sulfonyl-2-(oxan-2-ylmethoxy)propanamide
CID 71882542
N-(5-tert-butyl-2-hydroxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 51126483

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]-2-(oxolan-2-ylmethoxy)propanamide?
The IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]-2-(oxolan-2-ylmethoxy)propanamide (CID 48849651) is N-[3-(tert-butylsulfamoyl)phenyl]-2-(oxolan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-[3-(tert-butylsulfamoyl)phenyl]-2-(oxolan-2-ylmethoxy)propanamide?
The canonical SMILES for N-[3-(tert-butylsulfamoyl)phenyl]-2-(oxolan-2-ylmethoxy)propanamide is CC(OCC1CCCO1)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.
What is the InChIKey of N-[3-(tert-butylsulfamoyl)phenyl]-2-(oxolan-2-ylmethoxy)propanamide?
The InChIKey is FZXDONAIRLZCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-13(25-12-15-8-6-10-24-15)17(21)19-14-7-5-9-16(11-14)26(22,23)20-18(2,3)4/h5,7,9,11,13,15,20H,6,8,10,12H2,1-4H3,(H,19,21).
What are the key properties of N-[3-(tert-butylsulfamoyl)phenyl]-2-(oxolan-2-ylmethoxy)propanamide?
N-[3-(tert-butylsulfamoyl)phenyl]-2-(oxolan-2-ylmethoxy)propanamide has a molecular weight of 384.50 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylsulfamoyl)phenyl]-2-(oxolan-2-ylmethoxy)propanamide is sourced from PubChem (CID 48849651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).