N-(2,5-dimethoxyphenyl)-5-propylthiophene-3-carboxamide

C16H19NO3S — CID 1247056

IUPACN-(2,5-dimethoxyphenyl)-5-propylthiophene-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2cc(OC)ccc2OC)cs1
InChIInChI=1S/C16H19NO3S/c1-4-5-13-8-11(10-21-13)16(18)17-14-9-12(19-2)6-7-15(14)20-3/h6-10H,4-5H2,1-3H3,(H,17,18)
InChIKeyKXKIJEKATXOQIE-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.97
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-5-propylthiophene-3-carboxamide

N-(2,5-dimethoxyphenyl)-5-propylthiophene-3-carboxamide (PubChem CID 1247056) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-5-propylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-5-propylthiophene-3-carboxamide
PubChem CID1247056
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-(2,5-dimethoxyphenyl)-5-propylthiophene-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2cc(OC)ccc2OC)cs1
InChIInChI=1S/C16H19NO3S/c1-4-5-13-8-11(10-21-13)16(18)17-14-9-12(19-2)6-7-15(14)20-3/h6-10H,4-5H2,1-3H3,(H,17,18)
InChIKeyKXKIJEKATXOQIE-UHFFFAOYSA-N
XLogP3.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-5-propylthiophene-3-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-5-propylthiophene-3-carboxamide (CID 1247056) is N-(2,5-dimethoxyphenyl)-5-propylthiophene-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-5-propylthiophene-3-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-5-propylthiophene-3-carboxamide is CCCc1cc(C(=O)Nc2cc(OC)ccc2OC)cs1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-5-propylthiophene-3-carboxamide?
The InChIKey is KXKIJEKATXOQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-4-5-13-8-11(10-21-13)16(18)17-14-9-12(19-2)6-7-15(14)20-3/h6-10H,4-5H2,1-3H3,(H,17,18).
What are the key properties of N-(2,5-dimethoxyphenyl)-5-propylthiophene-3-carboxamide?
N-(2,5-dimethoxyphenyl)-5-propylthiophene-3-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-5-propylthiophene-3-carboxamide is sourced from PubChem (CID 1247056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).