2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2-morpholin-4-ium-4-ylethyl)acetamide

C19H30N3O5S+ — CID 7457741

IUPAC2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2-morpholin-4-ium-4-ylethyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)NCC[NH+]1CCOCC1
InChIInChI=1S/C19H29N3O5S/c23-19(20-9-10-22-11-13-26-14-12-22)15-27-17-5-7-18(8-6-17)28(24,25)21-16-3-1-2-4-16/h5-8,16,21H,1-4,9-15H2,(H,20,23)/p+1
InChIKeyDBPPOGBMQBGIKH-UHFFFAOYSA-O
MW412.53 g/mol
LogP-0.68
Rot. Bonds9

About 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2-morpholin-4-ium-4-ylethyl)acetamide

2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2-morpholin-4-ium-4-ylethyl)acetamide (PubChem CID 7457741) has the molecular formula C19H30N3O5S+ and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2-morpholin-4-ium-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2-morpholin-4-ium-4-ylethyl)acetamide
PubChem CID7457741
Molecular FormulaC19H30N3O5S+
Molecular Weight412.53 g/mol
Exact Mass412.19
IUPAC Name2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2-morpholin-4-ium-4-ylethyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)NCC[NH+]1CCOCC1
InChIInChI=1S/C19H29N3O5S/c23-19(20-9-10-22-11-13-26-14-12-22)15-27-17-5-7-18(8-6-17)28(24,25)21-16-3-1-2-4-16/h5-8,16,21H,1-4,9-15H2,(H,20,23)/p+1
InChIKeyDBPPOGBMQBGIKH-UHFFFAOYSA-O
XLogP-0.68
TPSA98.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenoxy)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 4694933
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-pentylacetamide
CID 45375351
N-butyl-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 45374355
N-(2-morpholin-4-ium-4-ylethyl)-2-(4-phenylphenoxy)acetamide
CID 7746055
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 45374111
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-methylacetamide
CID 45375238
N-(2-morpholin-4-ium-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 7371488
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 45374682
N-[(2-chlorophenyl)methyl]-2-[4-(cyclopentylsulfamoyl)phenoxy]acetamide
CID 45374108
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]acetamide
CID 108759391
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
CID 55947486
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1087082

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2-morpholin-4-ium-4-ylethyl)acetamide?
The IUPAC name of 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2-morpholin-4-ium-4-ylethyl)acetamide (CID 7457741) is 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2-morpholin-4-ium-4-ylethyl)acetamide.
What is the SMILES notation for 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2-morpholin-4-ium-4-ylethyl)acetamide?
The canonical SMILES for 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2-morpholin-4-ium-4-ylethyl)acetamide is O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)NCC[NH+]1CCOCC1.
What is the InChIKey of 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2-morpholin-4-ium-4-ylethyl)acetamide?
The InChIKey is DBPPOGBMQBGIKH-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H29N3O5S/c23-19(20-9-10-22-11-13-26-14-12-22)15-27-17-5-7-18(8-6-17)28(24,25)21-16-3-1-2-4-16/h5-8,16,21H,1-4,9-15H2,(H,20,23)/p+1.
What are the key properties of 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2-morpholin-4-ium-4-ylethyl)acetamide?
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2-morpholin-4-ium-4-ylethyl)acetamide has a molecular weight of 412.53 g/mol, XLogP of -0.68, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2-morpholin-4-ium-4-ylethyl)acetamide is sourced from PubChem (CID 7457741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).