4-chloro-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonyl-N-pentan-3-ylbenzamide

C19H29ClN2O5S — CID 55664196

IUPAC4-chloro-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCOC)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H29ClN2O5S/c1-4-16(5-2)22(10-11-26-3)19(23)15-6-7-17(20)18(14-15)28(24,25)21-8-12-27-13-9-21/h6-7,14,16H,4-5,8-13H2,1-3H3
InChIKeyUMGBOZBVOIIAGA-UHFFFAOYSA-N
MW432.97 g/mol
LogP2.64
Rot. Bonds9

About 4-chloro-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonyl-N-pentan-3-ylbenzamide

4-chloro-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonyl-N-pentan-3-ylbenzamide (PubChem CID 55664196) has the molecular formula C19H29ClN2O5S and a molecular weight of 432.97 g/mol. Its IUPAC name is 4-chloro-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonyl-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonyl-N-pentan-3-ylbenzamide
PubChem CID55664196
Molecular FormulaC19H29ClN2O5S
Molecular Weight432.97 g/mol
Exact Mass432.15
IUPAC Name4-chloro-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCOC)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H29ClN2O5S/c1-4-16(5-2)22(10-11-26-3)19(23)15-6-7-17(20)18(14-15)28(24,25)21-8-12-27-13-9-21/h6-7,14,16H,4-5,8-13H2,1-3H3
InChIKeyUMGBOZBVOIIAGA-UHFFFAOYSA-N
XLogP2.64
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.97
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-N-butyl-4-chloro-3-morpholin-4-ylsulfonylbenzamide
CID 60592193
4-chloro-N,N-dimethyl-3-morpholin-4-ylsulfonylbenzamide
CID 1092795
N-butyl-4-chloro-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 52539969
methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 779077
4-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide
CID 55589792
N-benzyl-4-chloro-N-(1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 75854481
4-chloro-3-morpholin-4-ylsulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7581832
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 9416375
4-chloro-N-methyl-3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 43021977
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 7667091
4-chloro-N-(5-methylhexan-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 42904495
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 1087746

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonyl-N-pentan-3-ylbenzamide?
The IUPAC name of 4-chloro-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonyl-N-pentan-3-ylbenzamide (CID 55664196) is 4-chloro-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonyl-N-pentan-3-ylbenzamide.
What is the SMILES notation for 4-chloro-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonyl-N-pentan-3-ylbenzamide?
The canonical SMILES for 4-chloro-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonyl-N-pentan-3-ylbenzamide is CCC(CC)N(CCOC)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-chloro-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonyl-N-pentan-3-ylbenzamide?
The InChIKey is UMGBOZBVOIIAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O5S/c1-4-16(5-2)22(10-11-26-3)19(23)15-6-7-17(20)18(14-15)28(24,25)21-8-12-27-13-9-21/h6-7,14,16H,4-5,8-13H2,1-3H3.
What are the key properties of 4-chloro-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonyl-N-pentan-3-ylbenzamide?
4-chloro-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonyl-N-pentan-3-ylbenzamide has a molecular weight of 432.97 g/mol, XLogP of 2.64, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonyl-N-pentan-3-ylbenzamide is sourced from PubChem (CID 55664196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).