2-chloro-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide

C19H28ClN3O5S — CID 55899477

IUPAC2-chloro-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide
SMILESCCCNC(=O)CN(CCC)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C19H28ClN3O5S/c1-3-7-21-18(24)14-22(8-4-2)19(25)16-13-15(5-6-17(16)20)29(26,27)23-9-11-28-12-10-23/h5-6,13H,3-4,7-12,14H2,1-2H3,(H,21,24)
InChIKeyGFQBLCUFHNODFH-UHFFFAOYSA-N
MW445.97 g/mol
LogP1.74
Rot. Bonds9

About 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide

2-chloro-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide (PubChem CID 55899477) has the molecular formula C19H28ClN3O5S and a molecular weight of 445.97 g/mol. Its IUPAC name is 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide.

Molecular Properties

Compound Name2-chloro-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide
PubChem CID55899477
Molecular FormulaC19H28ClN3O5S
Molecular Weight445.97 g/mol
Exact Mass445.14
IUPAC Name2-chloro-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide
SMILESCCCNC(=O)CN(CCC)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C19H28ClN3O5S/c1-3-7-21-18(24)14-22(8-4-2)19(25)16-13-15(5-6-17(16)20)29(26,27)23-9-11-28-12-10-23/h5-6,13H,3-4,7-12,14H2,1-2H3,(H,21,24)
InChIKeyGFQBLCUFHNODFH-UHFFFAOYSA-N
XLogP1.74
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.97
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-ethyl-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 55343818
2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide
CID 9163691
methyl 3-[(2-chloro-5-morpholin-4-ylsulfonylbenzoyl)-(2-methylpropyl)amino]propanoate
CID 55890902
5-(azepan-1-ylsulfonyl)-2-chloro-N-propylbenzamide
CID 28590823
2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 2426270
2-chloro-N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969320
methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 779059
2-chloro-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 50946940
2-methyl-5-piperidin-1-ylsulfonyl-N,N-dipropylbenzamide
CID 55347248
2-(4-morpholin-4-ylsulfonylphenoxy)-N-propylacetamide
CID 6491400
N-[2-(butylcarbamoyl)phenyl]-2-chloro-5-morpholin-4-ylsulfonylbenzamide
CID 28590712
N-butyl-2-chloro-N-(1,1-dioxothiolan-3-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 55483224

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide?
The IUPAC name of 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide (CID 55899477) is 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide.
What is the SMILES notation for 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide?
The canonical SMILES for 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide is CCCNC(=O)CN(CCC)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide?
The InChIKey is GFQBLCUFHNODFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O5S/c1-3-7-21-18(24)14-22(8-4-2)19(25)16-13-15(5-6-17(16)20)29(26,27)23-9-11-28-12-10-23/h5-6,13H,3-4,7-12,14H2,1-2H3,(H,21,24).
What are the key properties of 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide?
2-chloro-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide has a molecular weight of 445.97 g/mol, XLogP of 1.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide is sourced from PubChem (CID 55899477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).