N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide

C19H23ClN2O4S2 — CID 46401617

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C(=O)NC(C)c2ccc(Cl)s2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H23ClN2O4S2/c1-3-14-4-5-15(19(23)21-13(2)16-6-7-18(20)27-16)12-17(14)28(24,25)22-8-10-26-11-9-22/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,23)
InChIKeyYQXMAEYUNXHNKX-UHFFFAOYSA-N
MW442.99 g/mol
LogP3.48
Rot. Bonds6

About N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide

N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 46401617) has the molecular formula C19H23ClN2O4S2 and a molecular weight of 442.99 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID46401617
Molecular FormulaC19H23ClN2O4S2
Molecular Weight442.99 g/mol
Exact Mass442.08
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C(=O)NC(C)c2ccc(Cl)s2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H23ClN2O4S2/c1-3-14-4-5-15(19(23)21-13(2)16-6-7-18(20)27-16)12-17(14)28(24,25)22-8-10-26-11-9-22/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,23)
InChIKeyYQXMAEYUNXHNKX-UHFFFAOYSA-N
XLogP3.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.99
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584081
3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid
CID 119221567
N-[1-(2-bromophenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55578878
4-ethyl-3-morpholin-4-ylsulfonyl-N-(1-pyridin-2-ylethyl)benzamide
CID 46581143
N-(1-amino-4-methylpentan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119585997
N-[1-(2,4-dimethoxyphenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55579646
N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119626593
4-ethyl-N-[(2R)-2-(ethylamino)propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 120653317
N-(2-chloro-4-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584228
N-(3-aminobutyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119495645
N-(5-chloro-2-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46581514
N-(1-amino-2,3-dimethylbutan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119606089

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide (CID 46401617) is N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide is CCc1ccc(C(=O)NC(C)c2ccc(Cl)s2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is YQXMAEYUNXHNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S2/c1-3-14-4-5-15(19(23)21-13(2)16-6-7-18(20)27-16)12-17(14)28(24,25)22-8-10-26-11-9-22/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 442.99 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 46401617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).