N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethylmorpholine-3-carboxamide

C11H14Cl2N2O4S2 — CID 136530582

IUPACN-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethylmorpholine-3-carboxamide
SMILESCCN1CCOCC1C(=O)NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H14Cl2N2O4S2/c1-2-15-3-4-19-6-7(15)11(16)14-21(17,18)8-5-9(12)20-10(8)13/h5,7H,2-4,6H2,1H3,(H,14,16)
InChIKeyGYJLUBVUUGSENK-UHFFFAOYSA-N
MW373.28 g/mol
LogP1.58
Rot. Bonds4

About N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethylmorpholine-3-carboxamide

N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethylmorpholine-3-carboxamide (PubChem CID 136530582) has the molecular formula C11H14Cl2N2O4S2 and a molecular weight of 373.28 g/mol. Its IUPAC name is N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethylmorpholine-3-carboxamide
PubChem CID136530582
Molecular FormulaC11H14Cl2N2O4S2
Molecular Weight373.28 g/mol
Exact Mass371.98
IUPAC NameN-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethylmorpholine-3-carboxamide
SMILESCCN1CCOCC1C(=O)NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H14Cl2N2O4S2/c1-2-15-3-4-19-6-7(15)11(16)14-21(17,18)8-5-9(12)20-10(8)13/h5,7H,2-4,6H2,1H3,(H,14,16)
InChIKeyGYJLUBVUUGSENK-UHFFFAOYSA-N
XLogP1.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-3-carboxylate
CID 115672109
(3S)-4-ethyl-N-[3-(trifluoromethyl)phenyl]sulfonylmorpholine-3-carboxamide
CID 97257785
(3S)-4-ethyl-N-methylmorpholine-3-carboxamide
CID 99978843
4-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]morpholine-3-carboxamide
CID 167837851
(3R)-N-[2-(3-chlorophenyl)ethyl]-4-ethylmorpholine-3-carboxamide
CID 97099885
4-[(2,5-dichlorothiophen-3-yl)sulfonyl-ethylamino]oxolane-3-carboxylic acid
CID 66246843
4-ethyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]morpholine-3-carboxamide
CID 154769508
N-benzylsulfonyl-4-butylmorpholine-3-carboxamide
CID 119051162
(3S)-4-(2,2-difluoroethyl)-N-(5-ethyl-1,3-thiazol-2-yl)morpholine-3-carboxamide
CID 99785914
4-[2-(2,5-dichlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83102101
2-(4-bromophenyl)-N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpropanamide
CID 112839269
[4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 55508764

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethylmorpholine-3-carboxamide?
The IUPAC name of N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethylmorpholine-3-carboxamide (CID 136530582) is N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethylmorpholine-3-carboxamide.
What is the SMILES notation for N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethylmorpholine-3-carboxamide?
The canonical SMILES for N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethylmorpholine-3-carboxamide is CCN1CCOCC1C(=O)NS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethylmorpholine-3-carboxamide?
The InChIKey is GYJLUBVUUGSENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O4S2/c1-2-15-3-4-19-6-7(15)11(16)14-21(17,18)8-5-9(12)20-10(8)13/h5,7H,2-4,6H2,1H3,(H,14,16).
What are the key properties of N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethylmorpholine-3-carboxamide?
N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethylmorpholine-3-carboxamide has a molecular weight of 373.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 136530582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).