N-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide

C17H18N2O3S2 — CID 17170314

IUPACN-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1OCC1CCCO1)c1cccs1
InChIInChI=1S/C17H18N2O3S2/c20-16(15-8-4-10-24-15)19-17(23)18-13-6-1-2-7-14(13)22-11-12-5-3-9-21-12/h1-2,4,6-8,10,12H,3,5,9,11H2,(H2,18,19,20,23)
InChIKeyFUQPRKVAJXYZMQ-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.43
Rot. Bonds5

About N-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide

N-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide (PubChem CID 17170314) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide
PubChem CID17170314
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC NameN-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1OCC1CCCO1)c1cccs1
InChIInChI=1S/C17H18N2O3S2/c20-16(15-8-4-10-24-15)19-17(23)18-13-6-1-2-7-14(13)22-11-12-5-3-9-21-12/h1-2,4,6-8,10,12H,3,5,9,11H2,(H2,18,19,20,23)
InChIKeyFUQPRKVAJXYZMQ-UHFFFAOYSA-N
XLogP3.43
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide
CID 17170320
4-nitro-N-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide
CID 17170340
N-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]adamantane-1-carboxamide
CID 54787738
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282
N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]thiophene-2-carboxamide
CID 41444816
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
N-[2-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide
CID 54787347
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170162
1-[2-(oxan-2-ylmethoxy)phenyl]-3-(2-thiophen-2-ylethyl)urea
CID 60572958
3-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide
CID 43911417
N-[[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide
CID 42579611

Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide (CID 17170314) is N-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide is O=C(NC(=S)Nc1ccccc1OCC1CCCO1)c1cccs1.
What is the InChIKey of N-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide?
The InChIKey is FUQPRKVAJXYZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c20-16(15-8-4-10-24-15)19-17(23)18-13-6-1-2-7-14(13)22-11-12-5-3-9-21-12/h1-2,4,6-8,10,12H,3,5,9,11H2,(H2,18,19,20,23).
What are the key properties of N-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide?
N-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 17170314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).