N-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]carbamothioyl]pentanamide

C17H24N2O3S — CID 8543982

IUPACN-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]carbamothioyl]pentanamide
SMILESCCCCC(=O)NC(=S)Nc1ccc(OC[C@H]2CCCO2)cc1
InChIInChI=1S/C17H24N2O3S/c1-2-3-6-16(20)19-17(23)18-13-7-9-14(10-8-13)22-12-15-5-4-11-21-15/h7-10,15H,2-6,11-12H2,1H3,(H2,18,19,20,23)/t15-/m1/s1
InChIKeyHDKSPECAHDFASN-OAHLLOKOSA-N
MW336.46 g/mol
LogP3.25
Rot. Bonds7

About N-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]carbamothioyl]pentanamide

N-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]carbamothioyl]pentanamide (PubChem CID 8543982) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]carbamothioyl]pentanamide.

Molecular Properties

Compound NameN-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]carbamothioyl]pentanamide
PubChem CID8543982
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]carbamothioyl]pentanamide
SMILESCCCCC(=O)NC(=S)Nc1ccc(OC[C@H]2CCCO2)cc1
InChIInChI=1S/C17H24N2O3S/c1-2-3-6-16(20)19-17(23)18-13-7-9-14(10-8-13)22-12-15-5-4-11-21-15/h7-10,15H,2-6,11-12H2,1H3,(H2,18,19,20,23)/t15-/m1/s1
InChIKeyHDKSPECAHDFASN-OAHLLOKOSA-N
XLogP3.25
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]hexanamide
CID 4958081
ethyl 4-oxo-4-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioylamino]butanoate
CID 4958052
3-cyclohexyl-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]propanamide
CID 4958065
2,2-dimethyl-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamothioyl]propanamide
CID 8544018
N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]cyclopropanecarboxamide
CID 4958027
methyl 4-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioylcarbamoyl]benzoate
CID 17178607
4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119283533
3-(4-methylphenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]prop-2-enamide
CID 4958040
4-chloro-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide
CID 4958006
N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamothioyl]-2-propoxybenzamide
CID 8544220
3,4,5-trimethoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide
CID 4958021
4-butan-2-yloxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide
CID 17141640

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]carbamothioyl]pentanamide?
The IUPAC name of N-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]carbamothioyl]pentanamide (CID 8543982) is N-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]carbamothioyl]pentanamide.
What is the SMILES notation for N-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]carbamothioyl]pentanamide?
The canonical SMILES for N-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]carbamothioyl]pentanamide is CCCCC(=O)NC(=S)Nc1ccc(OC[C@H]2CCCO2)cc1.
What is the InChIKey of N-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]carbamothioyl]pentanamide?
The InChIKey is HDKSPECAHDFASN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-2-3-6-16(20)19-17(23)18-13-7-9-14(10-8-13)22-12-15-5-4-11-21-15/h7-10,15H,2-6,11-12H2,1H3,(H2,18,19,20,23)/t15-/m1/s1.
What are the key properties of N-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]carbamothioyl]pentanamide?
N-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]carbamothioyl]pentanamide has a molecular weight of 336.46 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]carbamothioyl]pentanamide is sourced from PubChem (CID 8543982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).