2-chloro-N-ethyl-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

C18H26ClN3O5S — CID 55343818

IUPAC2-chloro-N-ethyl-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C18H26ClN3O5S/c1-4-21(12-17(23)20-13(2)3)18(24)15-11-14(5-6-16(15)19)28(25,26)22-7-9-27-10-8-22/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,20,23)
InChIKeyNFOVQWPIVNLOIV-UHFFFAOYSA-N
MW431.94 g/mol
LogP1.35
Rot. Bonds7

About 2-chloro-N-ethyl-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

2-chloro-N-ethyl-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 55343818) has the molecular formula C18H26ClN3O5S and a molecular weight of 431.94 g/mol. Its IUPAC name is 2-chloro-N-ethyl-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
PubChem CID55343818
Molecular FormulaC18H26ClN3O5S
Molecular Weight431.94 g/mol
Exact Mass431.13
IUPAC Name2-chloro-N-ethyl-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C18H26ClN3O5S/c1-4-21(12-17(23)20-13(2)3)18(24)15-11-14(5-6-16(15)19)28(25,26)22-7-9-27-10-8-22/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,20,23)
InChIKeyNFOVQWPIVNLOIV-UHFFFAOYSA-N
XLogP1.35
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.94
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide
CID 55899477
methyl 3-[(2-chloro-5-morpholin-4-ylsulfonylbenzoyl)-(2-methylpropyl)amino]propanoate
CID 55890902
2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9301375
2-chloro-N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969320
2-chloro-N-ethyl-N-(2-hydroxyethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 78855508
2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide
CID 9163691
N,N-diethyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 55335115
2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-morpholin-4-ylsulfonylbenzamide
CID 55774441
2,4-dichloro-N-ethyl-5-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 46823565
methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 779059
2-chloro-5-morpholin-4-ylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 35728362
2-chloro-N-[1-(4-methylphenyl)propyl]-5-morpholin-4-ylsulfonylbenzamide
CID 43000663

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 2-chloro-N-ethyl-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (CID 55343818) is 2-chloro-N-ethyl-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-ethyl-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-ethyl-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is CCN(CC(=O)NC(C)C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is NFOVQWPIVNLOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O5S/c1-4-21(12-17(23)20-13(2)3)18(24)15-11-14(5-6-16(15)19)28(25,26)22-7-9-27-10-8-22/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,20,23).
What are the key properties of 2-chloro-N-ethyl-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
2-chloro-N-ethyl-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 431.94 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 55343818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).