(1R,6S)-6-[[4-(furan-2-yl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate

C18H16NO6S- — CID 7013498

IUPAC(1R,6S)-6-[[4-(furan-2-yl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate
SMILESCOC(=O)c1c(-c2ccco2)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-]
InChIInChI=1S/C18H17NO6S/c1-24-18(23)14-12(13-7-4-8-25-13)9-26-16(14)19-15(20)10-5-2-3-6-11(10)17(21)22/h2-4,7-11H,5-6H2,1H3,(H,19,20)(H,21,22)/p-1/t10-,11+/m0/s1
InChIKeyYAWARYLQJLDONP-WDEREUQCSA-M
MW374.39 g/mol
LogP2.07
Rot. Bonds5

About (1R,6S)-6-[[4-(furan-2-yl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate

(1R,6S)-6-[[4-(furan-2-yl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate (PubChem CID 7013498) has the molecular formula C18H16NO6S- and a molecular weight of 374.39 g/mol. Its IUPAC name is (1R,6S)-6-[[4-(furan-2-yl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Name(1R,6S)-6-[[4-(furan-2-yl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate
PubChem CID7013498
Molecular FormulaC18H16NO6S-
Molecular Weight374.39 g/mol
Exact Mass374.07
IUPAC Name(1R,6S)-6-[[4-(furan-2-yl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate
SMILESCOC(=O)c1c(-c2ccco2)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-]
InChIInChI=1S/C18H17NO6S/c1-24-18(23)14-12(13-7-4-8-25-13)9-26-16(14)19-15(20)10-5-2-3-6-11(10)17(21)22/h2-4,7-11H,5-6H2,1H3,(H,19,20)(H,21,22)/p-1/t10-,11+/m0/s1
InChIKeyYAWARYLQJLDONP-WDEREUQCSA-M
XLogP2.07
TPSA108.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (1R,6S)-6-[[4-(furan-2-yl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate with MolForge

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Related Compounds

(1R,6S)-6-[[3-ethoxycarbonyl-4-(3-methylphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 7308941
(1S,6S)-6-[[4-(4-bromophenyl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1350067
(1S,6R)-6-[[4-(4-bromophenyl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1350068
(1R,6R)-6-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 7058283
6-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 4745905
cis-(1R,2S)-2-[[4-(2,5-dimethylphenyl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate
CID 7058259
(1R,6S)-6-[[4-(3,4-dimethylphenyl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 2168531
cis-(1S,2R)-2-[[4-(2,5-dimethylphenyl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate
CID 7058258
ethyl 2-[[2-[(1R)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate
CID 7949098
trans-(1S,2S)-2-[[4-(4-fluorophenyl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate
CID 7122391
cis-(1R,2S)-2-[[4-(4-fluorophenyl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate
CID 7122389
ethyl 4-(furan-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate
CID 5150893

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-6-[[4-(furan-2-yl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate?
The IUPAC name of (1R,6S)-6-[[4-(furan-2-yl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate (CID 7013498) is (1R,6S)-6-[[4-(furan-2-yl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for (1R,6S)-6-[[4-(furan-2-yl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate?
The canonical SMILES for (1R,6S)-6-[[4-(furan-2-yl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate is COC(=O)c1c(-c2ccco2)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-].
What is the InChIKey of (1R,6S)-6-[[4-(furan-2-yl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate?
The InChIKey is YAWARYLQJLDONP-WDEREUQCSA-M. The full InChI is InChI=1S/C18H17NO6S/c1-24-18(23)14-12(13-7-4-8-25-13)9-26-16(14)19-15(20)10-5-2-3-6-11(10)17(21)22/h2-4,7-11H,5-6H2,1H3,(H,19,20)(H,21,22)/p-1/t10-,11+/m0/s1.
What are the key properties of (1R,6S)-6-[[4-(furan-2-yl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate?
(1R,6S)-6-[[4-(furan-2-yl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate has a molecular weight of 374.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-6-[[4-(furan-2-yl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 7013498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).