N-[1-(2-methoxyphenyl)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide

C22H24N2O4S2 — CID 46440676

IUPACN-[1-(2-methoxyphenyl)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
SMILESCCC(NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccccc1OC
InChIInChI=1S/C22H24N2O4S2/c1-3-19(18-7-4-5-8-20(18)28-2)23-21(25)15-16-10-12-17(13-11-16)24-30(26,27)22-9-6-14-29-22/h4-14,19,24H,3,15H2,1-2H3,(H,23,25)
InChIKeyLUZCHOBNTBDKGE-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.37
Rot. Bonds9

About N-[1-(2-methoxyphenyl)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide

N-[1-(2-methoxyphenyl)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide (PubChem CID 46440676) has the molecular formula C22H24N2O4S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
PubChem CID46440676
Molecular FormulaC22H24N2O4S2
Molecular Weight444.58 g/mol
Exact Mass444.12
IUPAC NameN-[1-(2-methoxyphenyl)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
SMILESCCC(NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccccc1OC
InChIInChI=1S/C22H24N2O4S2/c1-3-19(18-7-4-5-8-20(18)28-2)23-21(25)15-16-10-12-17(13-11-16)24-30(26,27)22-9-6-14-29-22/h4-14,19,24H,3,15H2,1-2H3,(H,23,25)
InChIKeyLUZCHOBNTBDKGE-UHFFFAOYSA-N
XLogP4.37
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxypropan-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 78856474
3-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid
CID 119221285
N-(2,5-diethoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39678609
N-pentyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39266553
N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 15997618
N-[2-(diethylamino)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55656034
N-[(1R)-1-(4-methylphenyl)propyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 41248781
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 39207534
N-(3-propan-2-yloxypropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39397239
N-[2-[(2R)-butan-2-yl]phenyl]thiophene-2-sulfonamide
CID 7949986
N-(4-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39154419
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55693970

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
The IUPAC name of N-[1-(2-methoxyphenyl)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide (CID 46440676) is N-[1-(2-methoxyphenyl)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide is CCC(NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccccc1OC.
What is the InChIKey of N-[1-(2-methoxyphenyl)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
The InChIKey is LUZCHOBNTBDKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S2/c1-3-19(18-7-4-5-8-20(18)28-2)23-21(25)15-16-10-12-17(13-11-16)24-30(26,27)22-9-6-14-29-22/h4-14,19,24H,3,15H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(2-methoxyphenyl)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
N-[1-(2-methoxyphenyl)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide has a molecular weight of 444.58 g/mol, XLogP of 4.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide is sourced from PubChem (CID 46440676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).