N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-5-propylthiophene-3-carboxamide

C18H27NO3S — CID 91767216

IUPACN-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-5-propylthiophene-3-carboxamide
SMILESCCCc1cc(C(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)cs1
InChIInChI=1S/C18H27NO3S/c1-2-3-15-10-14(12-23-15)18(20)19-17-6-9-22-11-16(17)13-4-7-21-8-5-13/h10,12-13,16-17H,2-9,11H2,1H3,(H,19,20)/t16-,17-/m0/s1
InChIKeyWPXLMEBCNHKJME-IRXDYDNUSA-N
MW337.49 g/mol
LogP3.26
Rot. Bonds5

About N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-5-propylthiophene-3-carboxamide

N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-5-propylthiophene-3-carboxamide (PubChem CID 91767216) has the molecular formula C18H27NO3S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-5-propylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-5-propylthiophene-3-carboxamide
PubChem CID91767216
Molecular FormulaC18H27NO3S
Molecular Weight337.49 g/mol
Exact Mass337.17
IUPAC NameN-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-5-propylthiophene-3-carboxamide
SMILESCCCc1cc(C(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)cs1
InChIInChI=1S/C18H27NO3S/c1-2-3-15-10-14(12-23-15)18(20)19-17-6-9-22-11-16(17)13-4-7-21-8-5-13/h10,12-13,16-17H,2-9,11H2,1H3,(H,19,20)/t16-,17-/m0/s1
InChIKeyWPXLMEBCNHKJME-IRXDYDNUSA-N
XLogP3.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-5-propylthiophene-3-carboxamide?
The IUPAC name of N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-5-propylthiophene-3-carboxamide (CID 91767216) is N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-5-propylthiophene-3-carboxamide.
What is the SMILES notation for N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-5-propylthiophene-3-carboxamide?
The canonical SMILES for N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-5-propylthiophene-3-carboxamide is CCCc1cc(C(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)cs1.
What is the InChIKey of N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-5-propylthiophene-3-carboxamide?
The InChIKey is WPXLMEBCNHKJME-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H27NO3S/c1-2-3-15-10-14(12-23-15)18(20)19-17-6-9-22-11-16(17)13-4-7-21-8-5-13/h10,12-13,16-17H,2-9,11H2,1H3,(H,19,20)/t16-,17-/m0/s1.
What are the key properties of N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-5-propylthiophene-3-carboxamide?
N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-5-propylthiophene-3-carboxamide has a molecular weight of 337.49 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-5-propylthiophene-3-carboxamide is sourced from PubChem (CID 91767216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).