2-(methanesulfonamido)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide

C18H23N3O4S2 — CID 25335311

IUPAC2-(methanesulfonamido)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
SMILESCS(=O)(=O)Nc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCOCC1
InChIInChI=1S/C18H23N3O4S2/c1-27(23,24)20-15-6-3-2-5-14(15)18(22)19-13-16(17-7-4-12-26-17)21-8-10-25-11-9-21/h2-7,12,16,20H,8-11,13H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyUKMLRGZCICMALX-INIZCTEOSA-N
MW409.53 g/mol
LogP1.92
Rot. Bonds7

About 2-(methanesulfonamido)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide

2-(methanesulfonamido)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide (PubChem CID 25335311) has the molecular formula C18H23N3O4S2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-(methanesulfonamido)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
PubChem CID25335311
Molecular FormulaC18H23N3O4S2
Molecular Weight409.53 g/mol
Exact Mass409.11
IUPAC Name2-(methanesulfonamido)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
SMILESCS(=O)(=O)Nc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCOCC1
InChIInChI=1S/C18H23N3O4S2/c1-27(23,24)20-15-6-3-2-5-14(15)18(22)19-13-16(17-7-4-12-26-17)21-8-10-25-11-9-21/h2-7,12,16,20H,8-11,13H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyUKMLRGZCICMALX-INIZCTEOSA-N
XLogP1.92
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methanesulfonamido)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 42940388
2-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 167860438
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 94180353
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide
CID 39951261
2-fluoro-N-[2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide
CID 39951277
5-chloro-2-fluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 18148637
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55622785
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 47007223
2,6-dimethoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 16831434
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(tetrazol-1-yl)benzamide
CID 51931032
4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 30335533
4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984970

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 2-(methanesulfonamido)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide (CID 25335311) is 2-(methanesulfonamido)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 2-(methanesulfonamido)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 2-(methanesulfonamido)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide is CS(=O)(=O)Nc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCOCC1.
What is the InChIKey of 2-(methanesulfonamido)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide?
The InChIKey is UKMLRGZCICMALX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O4S2/c1-27(23,24)20-15-6-3-2-5-14(15)18(22)19-13-16(17-7-4-12-26-17)21-8-10-25-11-9-21/h2-7,12,16,20H,8-11,13H2,1H3,(H,19,22)/t16-/m0/s1.
What are the key properties of 2-(methanesulfonamido)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide?
2-(methanesulfonamido)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide has a molecular weight of 409.53 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 25335311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).