N-(2-ethyl-1-thiophen-2-ylbutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide

C22H30N2O5S2 — CID 55903780

IUPACN-(2-ethyl-1-thiophen-2-ylbutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCCC(CC)C(NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1cccs1
InChIInChI=1S/C22H30N2O5S2/c1-4-16(5-2)21(20-7-6-14-30-20)23-22(25)18-15-17(8-9-19(18)28-3)31(26,27)24-10-12-29-13-11-24/h6-9,14-16,21H,4-5,10-13H2,1-3H3,(H,23,25)
InChIKeyNUBDLRFWSZTZJT-UHFFFAOYSA-N
MW466.63 g/mol
LogP3.68
Rot. Bonds9

About N-(2-ethyl-1-thiophen-2-ylbutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide

N-(2-ethyl-1-thiophen-2-ylbutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 55903780) has the molecular formula C22H30N2O5S2 and a molecular weight of 466.63 g/mol. Its IUPAC name is N-(2-ethyl-1-thiophen-2-ylbutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-ethyl-1-thiophen-2-ylbutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
PubChem CID55903780
Molecular FormulaC22H30N2O5S2
Molecular Weight466.63 g/mol
Exact Mass466.16
IUPAC NameN-(2-ethyl-1-thiophen-2-ylbutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCCC(CC)C(NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1cccs1
InChIInChI=1S/C22H30N2O5S2/c1-4-16(5-2)21(20-7-6-14-30-20)23-22(25)18-15-17(8-9-19(18)28-3)31(26,27)24-10-12-29-13-11-24/h6-9,14-16,21H,4-5,10-13H2,1-3H3,(H,23,25)
InChIKeyNUBDLRFWSZTZJT-UHFFFAOYSA-N
XLogP3.68
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(1-adamantyl)propyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 51923318
N-(2,4-dimethylpentan-3-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 28591079
2-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylbenzamide
CID 28631613
N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 46820089
N-[2-(ethylamino)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 119505913
N-(2-chlorophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 18195774
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 55336369
N-cyclopropyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 26736864
N-(3-aminobutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 119496106
N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-4-morpholin-4-ylsulfonylbenzamide
CID 9051733
dimethyl 5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 26737021
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 55949750

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1-thiophen-2-ylbutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2-ethyl-1-thiophen-2-ylbutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide (CID 55903780) is N-(2-ethyl-1-thiophen-2-ylbutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-ethyl-1-thiophen-2-ylbutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2-ethyl-1-thiophen-2-ylbutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide is CCC(CC)C(NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1cccs1.
What is the InChIKey of N-(2-ethyl-1-thiophen-2-ylbutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is NUBDLRFWSZTZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5S2/c1-4-16(5-2)21(20-7-6-14-30-20)23-22(25)18-15-17(8-9-19(18)28-3)31(26,27)24-10-12-29-13-11-24/h6-9,14-16,21H,4-5,10-13H2,1-3H3,(H,23,25).
What are the key properties of N-(2-ethyl-1-thiophen-2-ylbutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
N-(2-ethyl-1-thiophen-2-ylbutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 466.63 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1-thiophen-2-ylbutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55903780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).