N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]thiophene-3-carboxamide

C12H13NO2S2 — CID 97414407

IUPACN-[(2R)-2-methoxy-2-thiophen-3-ylethyl]thiophene-3-carboxamide
SMILESCO[C@@H](CNC(=O)c1ccsc1)c1ccsc1
InChIInChI=1S/C12H13NO2S2/c1-15-11(9-2-4-16-7-9)6-13-12(14)10-3-5-17-8-10/h2-5,7-8,11H,6H2,1H3,(H,13,14)/t11-/m0/s1
InChIKeyYTHRURIFQFGMQV-NSHDSACASA-N
MW267.38 g/mol
LogP2.93
Rot. Bonds5

About N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]thiophene-3-carboxamide

N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]thiophene-3-carboxamide (PubChem CID 97414407) has the molecular formula C12H13NO2S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-methoxy-2-thiophen-3-ylethyl]thiophene-3-carboxamide
PubChem CID97414407
Molecular FormulaC12H13NO2S2
Molecular Weight267.38 g/mol
Exact Mass267.04
IUPAC NameN-[(2R)-2-methoxy-2-thiophen-3-ylethyl]thiophene-3-carboxamide
SMILESCO[C@@H](CNC(=O)c1ccsc1)c1ccsc1
InChIInChI=1S/C12H13NO2S2/c1-15-11(9-2-4-16-7-9)6-13-12(14)10-3-5-17-8-10/h2-5,7-8,11H,6H2,1H3,(H,13,14)/t11-/m0/s1
InChIKeyYTHRURIFQFGMQV-NSHDSACASA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]thiophene-3-carboxamide?
The IUPAC name of N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]thiophene-3-carboxamide (CID 97414407) is N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]thiophene-3-carboxamide is CO[C@@H](CNC(=O)c1ccsc1)c1ccsc1.
What is the InChIKey of N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]thiophene-3-carboxamide?
The InChIKey is YTHRURIFQFGMQV-NSHDSACASA-N. The full InChI is InChI=1S/C12H13NO2S2/c1-15-11(9-2-4-16-7-9)6-13-12(14)10-3-5-17-8-10/h2-5,7-8,11H,6H2,1H3,(H,13,14)/t11-/m0/s1.
What are the key properties of N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]thiophene-3-carboxamide?
N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]thiophene-3-carboxamide has a molecular weight of 267.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]thiophene-3-carboxamide is sourced from PubChem (CID 97414407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).