N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide

C18H23N3O5S — CID 90496287

IUPACN-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCn1cccc1C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H23N3O5S/c1-20-8-2-3-16(20)17(22)13-19-18(23)14-4-6-15(7-5-14)27(24,25)21-9-11-26-12-10-21/h2-8,17,22H,9-13H2,1H3,(H,19,23)
InChIKeySXGJSGFPRLXGHJ-UHFFFAOYSA-N
MW393.47 g/mol
LogP0.51
Rot. Bonds6

About N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide

N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 90496287) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID90496287
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC NameN-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCn1cccc1C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H23N3O5S/c1-20-8-2-3-16(20)17(22)13-19-18(23)14-4-6-15(7-5-14)27(24,25)21-9-11-26-12-10-21/h2-8,17,22H,9-13H2,1H3,(H,19,23)
InChIKeySXGJSGFPRLXGHJ-UHFFFAOYSA-N
XLogP0.51
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 90624929
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N-[2-(butan-2-ylamino)-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide
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4-morpholin-4-ylsulfonyl-N-nonylbenzamide
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N-hexyl-4-morpholin-4-ylsulfonylbenzamide
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4-morpholin-4-ylsulfonyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide
CID 18569629
N-(3-methylsulfonylprop-2-enyl)-4-morpholin-4-ylsulfonylbenzamide
CID 171136981
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 110416759
4-cyano-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 29341374
4-morpholin-4-ylsulfonyl-N-(2-propan-2-ylphenyl)benzamide
CID 7958233
(2S)-4-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid
CID 119361822
4-morpholin-4-ylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide
CID 110642032

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide (CID 90496287) is N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide is Cn1cccc1C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is SXGJSGFPRLXGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-20-8-2-3-16(20)17(22)13-19-18(23)14-4-6-15(7-5-14)27(24,25)21-9-11-26-12-10-21/h2-8,17,22H,9-13H2,1H3,(H,19,23).
What are the key properties of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 393.47 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 90496287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).