N-(2,5-diethoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide

C22H24N2O5S2 — CID 39678609

IUPACN-(2,5-diethoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)c1
InChIInChI=1S/C22H24N2O5S2/c1-3-28-18-11-12-20(29-4-2)19(15-18)23-21(25)14-16-7-9-17(10-8-16)24-31(26,27)22-6-5-13-30-22/h5-13,15,24H,3-4,14H2,1-2H3,(H,23,25)
InChIKeyKSOVZUPOIQRALD-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.53
Rot. Bonds10

About N-(2,5-diethoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide

N-(2,5-diethoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide (PubChem CID 39678609) has the molecular formula C22H24N2O5S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
PubChem CID39678609
Molecular FormulaC22H24N2O5S2
Molecular Weight460.58 g/mol
Exact Mass460.11
IUPAC NameN-(2,5-diethoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)c1
InChIInChI=1S/C22H24N2O5S2/c1-3-28-18-11-12-20(29-4-2)19(15-18)23-21(25)14-16-7-9-17(10-8-16)24-31(26,27)22-6-5-13-30-22/h5-13,15,24H,3-4,14H2,1-2H3,(H,23,25)
InChIKeyKSOVZUPOIQRALD-UHFFFAOYSA-N
XLogP4.53
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide
CID 112987709
N-[1-(2-methoxyphenyl)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 46440676
N-(4-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39154419
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 39207534
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 46576758
ethyl (E)-3-[4-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]phenyl]prop-2-enoate
CID 39692796
N-(3-bromophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39191280
N-(3-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39267237
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-pentyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39266553
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
CID 25037277

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide (CID 39678609) is N-(2,5-diethoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide is CCOc1ccc(OCC)c(NC(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
The InChIKey is KSOVZUPOIQRALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S2/c1-3-28-18-11-12-20(29-4-2)19(15-18)23-21(25)14-16-7-9-17(10-8-16)24-31(26,27)22-6-5-13-30-22/h5-13,15,24H,3-4,14H2,1-2H3,(H,23,25).
What are the key properties of N-(2,5-diethoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
N-(2,5-diethoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide has a molecular weight of 460.58 g/mol, XLogP of 4.53, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide is sourced from PubChem (CID 39678609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).