N-(2,5-dichlorophenyl)-2-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]-propylamino]acetamide

C19H25Cl2N3O4S — CID 55328616

IUPACN-(2,5-dichlorophenyl)-2-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)CSCC(=O)N1CCOCC1
InChIInChI=1S/C19H25Cl2N3O4S/c1-2-5-24(11-17(25)22-16-10-14(20)3-4-15(16)21)19(27)13-29-12-18(26)23-6-8-28-9-7-23/h3-4,10H,2,5-9,11-13H2,1H3,(H,22,25)
InChIKeyILHLUIUEOWXEAA-UHFFFAOYSA-N
MW462.40 g/mol
LogP2.76
Rot. Bonds9

About N-(2,5-dichlorophenyl)-2-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]-propylamino]acetamide

N-(2,5-dichlorophenyl)-2-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]-propylamino]acetamide (PubChem CID 55328616) has the molecular formula C19H25Cl2N3O4S and a molecular weight of 462.40 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]-propylamino]acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]-propylamino]acetamide
PubChem CID55328616
Molecular FormulaC19H25Cl2N3O4S
Molecular Weight462.40 g/mol
Exact Mass461.09
IUPAC NameN-(2,5-dichlorophenyl)-2-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)CSCC(=O)N1CCOCC1
InChIInChI=1S/C19H25Cl2N3O4S/c1-2-5-24(11-17(25)22-16-10-14(20)3-4-15(16)21)19(27)13-29-12-18(26)23-6-8-28-9-7-23/h3-4,10H,2,5-9,11-13H2,1H3,(H,22,25)
InChIKeyILHLUIUEOWXEAA-UHFFFAOYSA-N
XLogP2.76
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,5-dichlorophenyl)-2-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]-propylamino]acetamide with MolForge

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Related Compounds

N-(2,5-dichlorophenyl)-2-[propyl-[2-(trifluoromethylsulfanyl)acetyl]amino]acetamide
CID 55666998
2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide
CID 2452334
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylhexanamide
CID 55328661
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(2,3-dihydro-1-benzofuran-5-yl)-N-propylacetamide
CID 55486874
N-(5-chloro-2-methylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711369
N'-[2-(2,5-dichloroanilino)-2-oxoethyl]-N,N'-dipropylbutanediamide
CID 56538621
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-hydroxyphenyl)-N-propylacetamide
CID 78806558
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 42977412
4-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1-N,1-N-diethyl-4-N-propylpiperidine-1,4-dicarboxamide
CID 60543757
N-(2,5-dichlorophenyl)-2-[[2-(2-methoxyethoxy)acetyl]-propylamino]acetamide
CID 78797414
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-morpholin-4-yl-4-oxobutanamide
CID 9440403
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-3-thiophen-3-ylpropanamide
CID 31970051

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]-propylamino]acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]-propylamino]acetamide (CID 55328616) is N-(2,5-dichlorophenyl)-2-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]-propylamino]acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]-propylamino]acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]-propylamino]acetamide is CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)CSCC(=O)N1CCOCC1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]-propylamino]acetamide?
The InChIKey is ILHLUIUEOWXEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N3O4S/c1-2-5-24(11-17(25)22-16-10-14(20)3-4-15(16)21)19(27)13-29-12-18(26)23-6-8-28-9-7-23/h3-4,10H,2,5-9,11-13H2,1H3,(H,22,25).
What are the key properties of N-(2,5-dichlorophenyl)-2-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]-propylamino]acetamide?
N-(2,5-dichlorophenyl)-2-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]-propylamino]acetamide has a molecular weight of 462.40 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]-propylamino]acetamide is sourced from PubChem (CID 55328616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).