N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)acetamide

C18H23N3O4S2 — CID 48681561

IUPACN-[1-(4-morpholin-4-ylphenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESCC(NC(=O)CNS(=O)(=O)c1cccs1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H23N3O4S2/c1-14(15-4-6-16(7-5-15)21-8-10-25-11-9-21)20-17(22)13-19-27(23,24)18-3-2-12-26-18/h2-7,12,14,19H,8-11,13H2,1H3,(H,20,22)
InChIKeyFTMSKYMDTJIZHE-UHFFFAOYSA-N
MW409.53 g/mol
LogP1.74
Rot. Bonds7

About N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)acetamide

N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)acetamide (PubChem CID 48681561) has the molecular formula C18H23N3O4S2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-[1-(4-morpholin-4-ylphenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)acetamide
PubChem CID48681561
Molecular FormulaC18H23N3O4S2
Molecular Weight409.53 g/mol
Exact Mass409.11
IUPAC NameN-[1-(4-morpholin-4-ylphenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESCC(NC(=O)CNS(=O)(=O)c1cccs1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H23N3O4S2/c1-14(15-4-6-16(7-5-15)21-8-10-25-11-9-21)20-17(22)13-19-27(23,24)18-3-2-12-26-18/h2-7,12,14,19H,8-11,13H2,1H3,(H,20,22)
InChIKeyFTMSKYMDTJIZHE-UHFFFAOYSA-N
XLogP1.74
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(1-morpholin-4-yl-1-oxopropan-2-yl) 2-(thiophen-2-ylsulfonylamino)acetate
CID 55705049
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 5183080
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 46361154
5-methyl-N-[2-[1-(4-morpholin-4-ylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 48681400
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 39888506
(2S)-2-(benzenesulfonamido)-N-[1-(4-morpholin-4-ylphenyl)ethyl]propanamide
CID 48681424
4-methyl-2-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]pentanoic acid
CID 119188469
2-[(3-methylphenyl)carbamoylamino]-N-[1-(4-morpholin-4-ylphenyl)ethyl]acetamide
CID 48681572
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 45003189
1-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-3-phenylurea
CID 95238427
N-[1-(4-ethylphenyl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide
CID 55474200
N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]thiophene-2-sulfonamide
CID 110285618

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)acetamide?
The IUPAC name of N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)acetamide (CID 48681561) is N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)acetamide.
What is the SMILES notation for N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)acetamide?
The canonical SMILES for N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)acetamide is CC(NC(=O)CNS(=O)(=O)c1cccs1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)acetamide?
The InChIKey is FTMSKYMDTJIZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S2/c1-14(15-4-6-16(7-5-15)21-8-10-25-11-9-21)20-17(22)13-19-27(23,24)18-3-2-12-26-18/h2-7,12,14,19H,8-11,13H2,1H3,(H,20,22).
What are the key properties of N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)acetamide?
N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)acetamide has a molecular weight of 409.53 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)acetamide is sourced from PubChem (CID 48681561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).