5-ethyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-sulfonamide

C13H17NO3S3 — CID 97414473

IUPAC5-ethyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NC[C@H](OC)c2ccsc2)s1
InChIInChI=1S/C13H17NO3S3/c1-3-11-4-5-13(19-11)20(15,16)14-8-12(17-2)10-6-7-18-9-10/h4-7,9,12,14H,3,8H2,1-2H3/t12-/m0/s1
InChIKeyVZDNQDXPGCHITK-LBPRGKRZSA-N
MW331.48 g/mol
LogP3.04
Rot. Bonds7

About 5-ethyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-sulfonamide

5-ethyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-sulfonamide (PubChem CID 97414473) has the molecular formula C13H17NO3S3 and a molecular weight of 331.48 g/mol. Its IUPAC name is 5-ethyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-sulfonamide
PubChem CID97414473
Molecular FormulaC13H17NO3S3
Molecular Weight331.48 g/mol
Exact Mass331.04
IUPAC Name5-ethyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NC[C@H](OC)c2ccsc2)s1
InChIInChI=1S/C13H17NO3S3/c1-3-11-4-5-13(19-11)20(15,16)14-8-12(17-2)10-6-7-18-9-10/h4-7,9,12,14H,3,8H2,1-2H3/t12-/m0/s1
InChIKeyVZDNQDXPGCHITK-LBPRGKRZSA-N
XLogP3.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-sulfonamide (CID 97414473) is 5-ethyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NC[C@H](OC)c2ccsc2)s1.
What is the InChIKey of 5-ethyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-sulfonamide?
The InChIKey is VZDNQDXPGCHITK-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17NO3S3/c1-3-11-4-5-13(19-11)20(15,16)14-8-12(17-2)10-6-7-18-9-10/h4-7,9,12,14H,3,8H2,1-2H3/t12-/m0/s1.
What are the key properties of 5-ethyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-sulfonamide?
5-ethyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-sulfonamide has a molecular weight of 331.48 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 97414473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).