N-(2,5-dimethoxyphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide

C15H18N2O5S2 — CID 3239734

IUPACN-(2,5-dimethoxyphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCNS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C15H18N2O5S2/c1-21-11-5-6-13(22-2)12(10-11)17-14(18)7-8-16-24(19,20)15-4-3-9-23-15/h3-6,9-10,16H,7-8H2,1-2H3,(H,17,18)
InChIKeyRFXREWXRMSITMR-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.07
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide

N-(2,5-dimethoxyphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 3239734) has the molecular formula C15H18N2O5S2 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID3239734
Molecular FormulaC15H18N2O5S2
Molecular Weight370.45 g/mol
Exact Mass370.07
IUPAC NameN-(2,5-dimethoxyphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCNS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C15H18N2O5S2/c1-21-11-5-6-13(22-2)12(10-11)17-14(18)7-8-16-24(19,20)15-4-3-9-23-15/h3-6,9-10,16H,7-8H2,1-2H3,(H,17,18)
InChIKeyRFXREWXRMSITMR-UHFFFAOYSA-N
XLogP2.07
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide (CID 3239734) is N-(2,5-dimethoxyphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide is COc1ccc(OC)c(NC(=O)CCNS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is RFXREWXRMSITMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S2/c1-21-11-5-6-13(22-2)12(10-11)17-14(18)7-8-16-24(19,20)15-4-3-9-23-15/h3-6,9-10,16H,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
N-(2,5-dimethoxyphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 370.45 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 3239734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).