N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide

C23H26N4O4S2 — CID 55693970

IUPACN-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C23H26N4O4S2/c1-16(2)25-23(29)26-19-9-7-18(8-10-19)15-24-21(28)14-17-5-11-20(12-6-17)27-33(30,31)22-4-3-13-32-22/h3-13,16,27H,14-15H2,1-2H3,(H,24,28)(H2,25,26,29)
InChIKeyZJOOSISQHOCMRS-UHFFFAOYSA-N
MW486.62 g/mol
LogP3.94
Rot. Bonds9

About N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide

N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide (PubChem CID 55693970) has the molecular formula C23H26N4O4S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
PubChem CID55693970
Molecular FormulaC23H26N4O4S2
Molecular Weight486.62 g/mol
Exact Mass486.14
IUPAC NameN-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C23H26N4O4S2/c1-16(2)25-23(29)26-19-9-7-18(8-10-19)15-24-21(28)14-17-5-11-20(12-6-17)27-33(30,31)22-4-3-13-32-22/h3-13,16,27H,14-15H2,1-2H3,(H,24,28)(H2,25,26,29)
InChIKeyZJOOSISQHOCMRS-UHFFFAOYSA-N
XLogP3.94
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 53.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-cyanophenyl)methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 46591163
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-(diethylamino)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55656034
N-(4-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39154419
N-(3-propan-2-yloxypropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39397239
N-pentyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39266553
N-[[4-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 37316745
4-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid
CID 119170907
N-(3-aminopropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide;hydrochloride
CID 119408784
N-[4-(3-methylbutanoylamino)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 33026888
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 86974192

Frequently Asked Questions

What is the IUPAC name of N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
The IUPAC name of N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide (CID 55693970) is N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide.
What is the SMILES notation for N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
The canonical SMILES for N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide is CC(C)NC(=O)Nc1ccc(CNC(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)cc1.
What is the InChIKey of N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
The InChIKey is ZJOOSISQHOCMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S2/c1-16(2)25-23(29)26-19-9-7-18(8-10-19)15-24-21(28)14-17-5-11-20(12-6-17)27-33(30,31)22-4-3-13-32-22/h3-13,16,27H,14-15H2,1-2H3,(H,24,28)(H2,25,26,29).
What are the key properties of N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide has a molecular weight of 486.62 g/mol, XLogP of 3.94, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide is sourced from PubChem (CID 55693970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).