4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethylsulfanyl)benzamide

C16H24N2O2S — CID 21150834

IUPAC4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethylsulfanyl)benzamide
SMILESCC(C)Oc1ccc(C(=O)NSCCN2CCCC2)cc1
InChIInChI=1S/C16H24N2O2S/c1-13(2)20-15-7-5-14(6-8-15)16(19)17-21-12-11-18-9-3-4-10-18/h5-8,13H,3-4,9-12H2,1-2H3,(H,17,19)
InChIKeyTZCZUYONDILAGG-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.95
Rot. Bonds7

About 4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethylsulfanyl)benzamide

4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethylsulfanyl)benzamide (PubChem CID 21150834) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethylsulfanyl)benzamide.

Molecular Properties

Compound Name4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethylsulfanyl)benzamide
PubChem CID21150834
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethylsulfanyl)benzamide
SMILESCC(C)Oc1ccc(C(=O)NSCCN2CCCC2)cc1
InChIInChI=1S/C16H24N2O2S/c1-13(2)20-15-7-5-14(6-8-15)16(19)17-21-12-11-18-9-3-4-10-18/h5-8,13H,3-4,9-12H2,1-2H3,(H,17,19)
InChIKeyTZCZUYONDILAGG-UHFFFAOYSA-N
XLogP2.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-morpholin-4-ylethyl)-4-propan-2-yloxybenzamide
CID 6471257
N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
CID 40772005
N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]-4-propan-2-yloxybenzamide
CID 24551426
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 23607119
[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride
CID 52985386
N-butan-2-yl-4-(3-piperidin-1-ylpropoxy)benzamide;heptane
CID 143299998
N-(2-aminoethyl)-4-propan-2-yloxybenzamide
CID 82335676
N-[(2R)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 42217496
N-(2-methylbutan-2-yl)-4-propan-2-yloxybenzamide
CID 56920644
3-morpholin-4-yl-1-(4-propan-2-yloxyphenyl)propan-1-one;hydrochloride
CID 52997518
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-propan-2-yloxybenzamide
CID 1227276

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethylsulfanyl)benzamide?
The IUPAC name of 4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethylsulfanyl)benzamide (CID 21150834) is 4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethylsulfanyl)benzamide.
What is the SMILES notation for 4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethylsulfanyl)benzamide?
The canonical SMILES for 4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethylsulfanyl)benzamide is CC(C)Oc1ccc(C(=O)NSCCN2CCCC2)cc1.
What is the InChIKey of 4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethylsulfanyl)benzamide?
The InChIKey is TZCZUYONDILAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-13(2)20-15-7-5-14(6-8-15)16(19)17-21-12-11-18-9-3-4-10-18/h5-8,13H,3-4,9-12H2,1-2H3,(H,17,19).
What are the key properties of 4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethylsulfanyl)benzamide?
4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethylsulfanyl)benzamide has a molecular weight of 308.45 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethylsulfanyl)benzamide is sourced from PubChem (CID 21150834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).