N-(5-methylhexan-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

C17H28N2O4S2 — CID 24819930

IUPACN-(5-methylhexan-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCC(C)CCC(C)NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C17H28N2O4S2/c1-13(2)4-5-14(3)18-16(20)12-15-6-7-17(24-15)25(21,22)19-8-10-23-11-9-19/h6-7,13-14H,4-5,8-12H2,1-3H3,(H,18,20)
InChIKeyREOQXLNQIRIBMS-UHFFFAOYSA-N
MW388.56 g/mol
LogP2.25
Rot. Bonds8

About N-(5-methylhexan-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

N-(5-methylhexan-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 24819930) has the molecular formula C17H28N2O4S2 and a molecular weight of 388.56 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
PubChem CID24819930
Molecular FormulaC17H28N2O4S2
Molecular Weight388.56 g/mol
Exact Mass388.15
IUPAC NameN-(5-methylhexan-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCC(C)CCC(C)NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C17H28N2O4S2/c1-13(2)4-5-14(3)18-16(20)12-15-6-7-17(24-15)25(21,22)19-8-10-23-11-9-19/h6-7,13-14H,4-5,8-12H2,1-3H3,(H,18,20)
InChIKeyREOQXLNQIRIBMS-UHFFFAOYSA-N
XLogP2.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-(5-methylhexan-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (CID 24819930) is N-(5-methylhexan-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-(5-methylhexan-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-(5-methylhexan-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is CC(C)CCC(C)NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1.
What is the InChIKey of N-(5-methylhexan-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is REOQXLNQIRIBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S2/c1-13(2)4-5-14(3)18-16(20)12-15-6-7-17(24-15)25(21,22)19-8-10-23-11-9-19/h6-7,13-14H,4-5,8-12H2,1-3H3,(H,18,20).
What are the key properties of N-(5-methylhexan-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
N-(5-methylhexan-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 388.56 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 24819930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).