N-[(3S,4R)-4-(thiophene-3-carbonylamino)oxolan-3-yl]thiophene-3-carboxamide

C14H14N2O3S2 — CID 138021648

IUPACN-[(3S,4R)-4-(thiophene-3-carbonylamino)oxolan-3-yl]thiophene-3-carboxamide
SMILESO=C(N[C@H]1COC[C@H]1NC(=O)c1ccsc1)c1ccsc1
InChIInChI=1S/C14H14N2O3S2/c17-13(9-1-3-20-7-9)15-11-5-19-6-12(11)16-14(18)10-2-4-21-8-10/h1-4,7-8,11-12H,5-6H2,(H,15,17)(H,16,18)/t11-,12+
InChIKeyKVBIULJCLRWCFE-TXEJJXNPSA-N
MW322.41 g/mol
LogP1.74
Rot. Bonds4

About N-[(3S,4R)-4-(thiophene-3-carbonylamino)oxolan-3-yl]thiophene-3-carboxamide

N-[(3S,4R)-4-(thiophene-3-carbonylamino)oxolan-3-yl]thiophene-3-carboxamide (PubChem CID 138021648) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(3S,4R)-4-(thiophene-3-carbonylamino)oxolan-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-(thiophene-3-carbonylamino)oxolan-3-yl]thiophene-3-carboxamide
PubChem CID138021648
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC NameN-[(3S,4R)-4-(thiophene-3-carbonylamino)oxolan-3-yl]thiophene-3-carboxamide
SMILESO=C(N[C@H]1COC[C@H]1NC(=O)c1ccsc1)c1ccsc1
InChIInChI=1S/C14H14N2O3S2/c17-13(9-1-3-20-7-9)15-11-5-19-6-12(11)16-14(18)10-2-4-21-8-10/h1-4,7-8,11-12H,5-6H2,(H,15,17)(H,16,18)/t11-,12+
InChIKeyKVBIULJCLRWCFE-TXEJJXNPSA-N
XLogP1.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S,4R)-4-(thiophene-3-carbonylamino)oxolan-3-yl]thiophene-3-carboxamide with MolForge

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Related Compounds

N-[(3S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-yl]thiophene-3-carboxamide;hydrochloride
CID 155839888
N-(azetidin-3-yl)thiophene-3-carboxamide
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N-(3-azabicyclo[3.1.0]hexan-6-yl)thiophene-3-carboxamide
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N-(3-aminocyclobutyl)thiophene-3-carboxamide
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CID 24555583
N-[3-(hydroxymethyl)cyclobutyl]thiophene-3-carboxamide
CID 164653916
N-(3-methyloxetan-3-yl)thiophene-3-carboxamide
CID 144942729
N-[(4aS,6R,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]thiophene-3-carboxamide
CID 124843923
N-[(3R)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
CID 95985002
N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-3-carboxamide
CID 24871869
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 71645364

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-(thiophene-3-carbonylamino)oxolan-3-yl]thiophene-3-carboxamide?
The IUPAC name of N-[(3S,4R)-4-(thiophene-3-carbonylamino)oxolan-3-yl]thiophene-3-carboxamide (CID 138021648) is N-[(3S,4R)-4-(thiophene-3-carbonylamino)oxolan-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-(thiophene-3-carbonylamino)oxolan-3-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-(thiophene-3-carbonylamino)oxolan-3-yl]thiophene-3-carboxamide is O=C(N[C@H]1COC[C@H]1NC(=O)c1ccsc1)c1ccsc1.
What is the InChIKey of N-[(3S,4R)-4-(thiophene-3-carbonylamino)oxolan-3-yl]thiophene-3-carboxamide?
The InChIKey is KVBIULJCLRWCFE-TXEJJXNPSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c17-13(9-1-3-20-7-9)15-11-5-19-6-12(11)16-14(18)10-2-4-21-8-10/h1-4,7-8,11-12H,5-6H2,(H,15,17)(H,16,18)/t11-,12+.
What are the key properties of N-[(3S,4R)-4-(thiophene-3-carbonylamino)oxolan-3-yl]thiophene-3-carboxamide?
N-[(3S,4R)-4-(thiophene-3-carbonylamino)oxolan-3-yl]thiophene-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-(thiophene-3-carbonylamino)oxolan-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 138021648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).