N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylfuran-2-carboxamide

C14H18N2O2S — CID 32633181

IUPACN-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC[C@@H](c1ccsc1)N(C)C
InChIInChI=1S/C14H18N2O2S/c1-10-4-6-18-13(10)14(17)15-8-12(16(2)3)11-5-7-19-9-11/h4-7,9,12H,8H2,1-3H3,(H,15,17)/t12-/m0/s1
InChIKeyMTGCHVPOEJRLJI-LBPRGKRZSA-N
MW278.38 g/mol
LogP2.68
Rot. Bonds5

About N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylfuran-2-carboxamide

N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylfuran-2-carboxamide (PubChem CID 32633181) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylfuran-2-carboxamide
PubChem CID32633181
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC[C@@H](c1ccsc1)N(C)C
InChIInChI=1S/C14H18N2O2S/c1-10-4-6-18-13(10)14(17)15-8-12(16(2)3)11-5-7-19-9-11/h4-7,9,12H,8H2,1-3H3,(H,15,17)/t12-/m0/s1
InChIKeyMTGCHVPOEJRLJI-LBPRGKRZSA-N
XLogP2.68
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylfuran-2-carboxamide (CID 32633181) is N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NC[C@@H](c1ccsc1)N(C)C.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylfuran-2-carboxamide?
The InChIKey is MTGCHVPOEJRLJI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-10-4-6-18-13(10)14(17)15-8-12(16(2)3)11-5-7-19-9-11/h4-7,9,12H,8H2,1-3H3,(H,15,17)/t12-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylfuran-2-carboxamide?
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylfuran-2-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 32633181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).