3-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide

C17H20N2O4S2 — CID 27770200

IUPAC3-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H20N2O4S2/c20-17(18-7-6-15-4-2-12-24-15)14-3-1-5-16(13-14)25(21,22)19-8-10-23-11-9-19/h1-5,12-13H,6-11H2,(H,18,20)
InChIKeyIHYRDKUIXJUYBL-UHFFFAOYSA-N
MW380.49 g/mol
LogP1.74
Rot. Bonds6

About 3-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide

3-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 27770200) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID27770200
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Name3-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H20N2O4S2/c20-17(18-7-6-15-4-2-12-24-15)14-3-1-5-16(13-14)25(21,22)19-8-10-23-11-9-19/h1-5,12-13H,6-11H2,(H,18,20)
InChIKeyIHYRDKUIXJUYBL-UHFFFAOYSA-N
XLogP1.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119548741
N-[2-(dimethylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 50945849
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
3-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 2671800
3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 46819848
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 110424101
N-[2-(1-adamantyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 4020681
3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide
CID 2711286
N-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2329278
N-[1-[ethyl(thiophen-2-ylmethyl)amino]-3-methyl-1-oxobutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 55372929
N-[3-(4-methoxyphenyl)propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 52713270
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 55531398

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide (CID 27770200) is 3-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide is O=C(NCCc1cccs1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is IHYRDKUIXJUYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c20-17(18-7-6-15-4-2-12-24-15)14-3-1-5-16(13-14)25(21,22)19-8-10-23-11-9-19/h1-5,12-13H,6-11H2,(H,18,20).
What are the key properties of 3-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide?
3-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 380.49 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 27770200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).