N-[[4-(oxan-2-yloxycarbamoyl)phenyl]methyl]thiophene-2-carboxamide

C18H20N2O4S — CID 51130706

IUPACN-[[4-(oxan-2-yloxycarbamoyl)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NOC1CCCCO1)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C18H20N2O4S/c21-17(20-24-16-5-1-2-10-23-16)14-8-6-13(7-9-14)12-19-18(22)15-4-3-11-25-15/h3-4,6-9,11,16H,1-2,5,10,12H2,(H,19,22)(H,20,21)
InChIKeyOZIBWGGOVRVVGQ-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.87
Rot. Bonds6

About N-[[4-(oxan-2-yloxycarbamoyl)phenyl]methyl]thiophene-2-carboxamide

N-[[4-(oxan-2-yloxycarbamoyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 51130706) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[[4-(oxan-2-yloxycarbamoyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(oxan-2-yloxycarbamoyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID51130706
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-[[4-(oxan-2-yloxycarbamoyl)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NOC1CCCCO1)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C18H20N2O4S/c21-17(20-24-16-5-1-2-10-23-16)14-8-6-13(7-9-14)12-19-18(22)15-4-3-11-25-15/h3-4,6-9,11,16H,1-2,5,10,12H2,(H,19,22)(H,20,21)
InChIKeyOZIBWGGOVRVVGQ-UHFFFAOYSA-N
XLogP2.87
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(oxan-2-yloxycarbamoyl)phenyl]thiophene-2-carboxamide
CID 60613224
N-[[4-[[2-(aminomethyl)cyclopentyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 119603218
N-[[4-[(2-oxoazepan-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 75404259
4-chloro-N-(oxan-2-yloxy)benzamide
CID 51103118
N-[[4-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 120574736
N-[[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide
CID 119468196
N-[2-(oxan-2-yl)ethyl]thiophene-2-carboxamide
CID 103993193
N-[[4-(thiophen-3-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 55766242
N-benzylthiophene-2-carboxamide
CID 574227
N-[[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55756708
N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 24682821
2-N-benzyl-6-N-(oxan-2-yloxy)-3,4-dihydro-1H-isoquinoline-2,6-dicarboxamide
CID 87188952

Frequently Asked Questions

What is the IUPAC name of N-[[4-(oxan-2-yloxycarbamoyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-(oxan-2-yloxycarbamoyl)phenyl]methyl]thiophene-2-carboxamide (CID 51130706) is N-[[4-(oxan-2-yloxycarbamoyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(oxan-2-yloxycarbamoyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-(oxan-2-yloxycarbamoyl)phenyl]methyl]thiophene-2-carboxamide is O=C(NOC1CCCCO1)c1ccc(CNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[[4-(oxan-2-yloxycarbamoyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is OZIBWGGOVRVVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c21-17(20-24-16-5-1-2-10-23-16)14-8-6-13(7-9-14)12-19-18(22)15-4-3-11-25-15/h3-4,6-9,11,16H,1-2,5,10,12H2,(H,19,22)(H,20,21).
What are the key properties of N-[[4-(oxan-2-yloxycarbamoyl)phenyl]methyl]thiophene-2-carboxamide?
N-[[4-(oxan-2-yloxycarbamoyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(oxan-2-yloxycarbamoyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 51130706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).