N-[3-(N-ethylanilino)propyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

C19H29N3O3S — CID 55520263

IUPACN-[3-(N-ethylanilino)propyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESCCN(CCCNC(=O)CSCC(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C19H29N3O3S/c1-2-21(17-7-4-3-5-8-17)10-6-9-20-18(23)15-26-16-19(24)22-11-13-25-14-12-22/h3-5,7-8H,2,6,9-16H2,1H3,(H,20,23)
InChIKeyZWMLJFBJPGMMEX-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.61
Rot. Bonds10

About N-[3-(N-ethylanilino)propyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

N-[3-(N-ethylanilino)propyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (PubChem CID 55520263) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
PubChem CID55520263
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-[3-(N-ethylanilino)propyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESCCN(CCCNC(=O)CSCC(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C19H29N3O3S/c1-2-21(17-7-4-3-5-8-17)10-6-9-20-18(23)15-26-16-19(24)22-11-13-25-14-12-22/h3-5,7-8H,2,6,9-16H2,1H3,(H,20,23)
InChIKeyZWMLJFBJPGMMEX-UHFFFAOYSA-N
XLogP1.61
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(N-ethylanilino)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 24550613
N-(5-hydroxypentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 107318984
N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 43388901
CID 59411891
CID 59411891
3-(N-ethylanilino)propylurea
CID 112708177
3-morpholin-4-yl-3-oxo-N-(3-phenylpropyl)propanamide
CID 108943481
3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide
CID 62834234
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 55337236
2-hydroxy-2-methyl-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
CID 66173764
1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111389814
N-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]benzamide
CID 41278360
methyl N-[3-(N-ethylanilino)propyl]carbamate
CID 22765561

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (CID 55520263) is N-[3-(N-ethylanilino)propyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is CCN(CCCNC(=O)CSCC(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The InChIKey is ZWMLJFBJPGMMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-2-21(17-7-4-3-5-8-17)10-6-9-20-18(23)15-26-16-19(24)22-11-13-25-14-12-22/h3-5,7-8H,2,6,9-16H2,1H3,(H,20,23).
What are the key properties of N-[3-(N-ethylanilino)propyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
N-[3-(N-ethylanilino)propyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide has a molecular weight of 379.53 g/mol, XLogP of 1.61, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is sourced from PubChem (CID 55520263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).