N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide

C23H30ClN3O4S — CID 43058620

IUPACN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C(=O)NCC(c2ccccc2Cl)N(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H30ClN3O4S/c1-4-17-9-10-18(15-22(17)32(29,30)27-11-13-31-14-12-27)23(28)25-16-21(26(2)3)19-7-5-6-8-20(19)24/h5-10,15,21H,4,11-14,16H2,1-3H3,(H,25,28)
InChIKeyUIFWESLKGZULLC-UHFFFAOYSA-N
MW480.03 g/mol
LogP2.96
Rot. Bonds8

About N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 43058620) has the molecular formula C23H30ClN3O4S and a molecular weight of 480.03 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID43058620
Molecular FormulaC23H30ClN3O4S
Molecular Weight480.03 g/mol
Exact Mass479.16
IUPAC NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C(=O)NCC(c2ccccc2Cl)N(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H30ClN3O4S/c1-4-17-9-10-18(15-22(17)32(29,30)27-11-13-31-14-12-27)23(28)25-16-21(26(2)3)19-7-5-6-8-20(19)24/h5-10,15,21H,4,11-14,16H2,1-3H3,(H,25,28)
InChIKeyUIFWESLKGZULLC-UHFFFAOYSA-N
XLogP2.96
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.03
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 25488088
4-ethyl-N-[(2R)-2-(ethylamino)propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 120653317
3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-2,2-dimethylpropanoic acid
CID 119250337
N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119626593
N-(3-aminobutyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119495645
N-[1-(2-bromophenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55578878
N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584081
N-[2-(3-chlorophenoxy)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55724631
3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid
CID 119221567
N-(2,2-diphenylethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26795823
N-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 30836100
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 26010349

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide (CID 43058620) is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide is CCc1ccc(C(=O)NCC(c2ccccc2Cl)N(C)C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is UIFWESLKGZULLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O4S/c1-4-17-9-10-18(15-22(17)32(29,30)27-11-13-31-14-12-27)23(28)25-16-21(26(2)3)19-7-5-6-8-20(19)24/h5-10,15,21H,4,11-14,16H2,1-3H3,(H,25,28).
What are the key properties of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 480.03 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 43058620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).