(1S)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]cyclohex-3-ene-1-carboxamide

C17H17NO3S — CID 97427119

IUPAC(1S)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(c1ccco1)c1ccc(CNC(=O)[C@@H]2CC=CCC2)s1
InChIInChI=1S/C17H17NO3S/c19-16(14-7-4-10-21-14)15-9-8-13(22-15)11-18-17(20)12-5-2-1-3-6-12/h1-2,4,7-10,12H,3,5-6,11H2,(H,18,20)/t12-/m1/s1
InChIKeyATCCXLRMPZLGQM-GFCCVEGCSA-N
MW315.39 g/mol
LogP3.54
Rot. Bonds5

About (1S)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]cyclohex-3-ene-1-carboxamide

(1S)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 97427119) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is (1S)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]cyclohex-3-ene-1-carboxamide
PubChem CID97427119
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name(1S)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(c1ccco1)c1ccc(CNC(=O)[C@@H]2CC=CCC2)s1
InChIInChI=1S/C17H17NO3S/c19-16(14-7-4-10-21-14)15-9-8-13(22-15)11-18-17(20)12-5-2-1-3-6-12/h1-2,4,7-10,12H,3,5-6,11H2,(H,18,20)/t12-/m1/s1
InChIKeyATCCXLRMPZLGQM-GFCCVEGCSA-N
XLogP3.54
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 72717520
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-methylbutanamide
CID 72717480
2,6-difluoro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 72717493
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyridine-4-carboxamide
CID 90612101
(E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-(furan-2-yl)prop-2-enamide
CID 90612110
(E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-phenylprop-2-enamide
CID 90612120
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 90612194
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-(3-methylphenyl)acetamide
CID 90612127
1-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-[(4-methoxyphenyl)methyl]urea
CID 90612463
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 73167874
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyrazine-2-carboxamide
CID 90612104
N-[(4-bromothiophen-2-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 47250169

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]cyclohex-3-ene-1-carboxamide (CID 97427119) is (1S)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]cyclohex-3-ene-1-carboxamide is O=C(c1ccco1)c1ccc(CNC(=O)[C@@H]2CC=CCC2)s1.
What is the InChIKey of (1S)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is ATCCXLRMPZLGQM-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17NO3S/c19-16(14-7-4-10-21-14)15-9-8-13(22-15)11-18-17(20)12-5-2-1-3-6-12/h1-2,4,7-10,12H,3,5-6,11H2,(H,18,20)/t12-/m1/s1.
What are the key properties of (1S)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]cyclohex-3-ene-1-carboxamide?
(1S)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 315.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 97427119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).