N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-morpholin-4-ylsulfonylbenzamide

C18H26N2O5S — CID 110416759

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCC1(CO)CCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H26N2O5S/c21-14-18(7-1-2-8-18)13-19-17(22)15-3-5-16(6-4-15)26(23,24)20-9-11-25-12-10-20/h3-6,21H,1-2,7-14H2,(H,19,22)
InChIKeyVWMWSIMPDUCAGF-UHFFFAOYSA-N
MW382.48 g/mol
LogP0.99
Rot. Bonds6

About N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-morpholin-4-ylsulfonylbenzamide

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 110416759) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID110416759
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCC1(CO)CCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H26N2O5S/c21-14-18(7-1-2-8-18)13-19-17(22)15-3-5-16(6-4-15)26(23,24)20-9-11-25-12-10-20/h3-6,21H,1-2,7-14H2,(H,19,22)
InChIKeyVWMWSIMPDUCAGF-UHFFFAOYSA-N
XLogP0.99
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 90581169
4-(cyclopropylsulfamoyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide
CID 70769591
N-(3-methylsulfonylprop-2-enyl)-4-morpholin-4-ylsulfonylbenzamide
CID 171136981
6-[[4-(hydroxymethyl)oxan-4-yl]methylcarbamoyl]naphthalene-2-carboxylic acid
CID 167752625
4-morpholin-4-ylsulfonyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 90498022
4-(azepan-1-ylsulfonyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 4881417
N-(2-morpholin-4-yl-2-oxoethyl)-4-piperidin-1-ylsulfonylbenzamide
CID 112991295
N-hexyl-4-morpholin-4-ylsulfonylbenzamide
CID 26264686
4-morpholin-4-ylsulfonyl-N-nonylbenzamide
CID 46550002
4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide
CID 121062034
4-(1,1-dioxothiazinan-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide
CID 110310247
N-[2-(butan-2-ylamino)-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 112990790

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-morpholin-4-ylsulfonylbenzamide (CID 110416759) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-morpholin-4-ylsulfonylbenzamide is O=C(NCC1(CO)CCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is VWMWSIMPDUCAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c21-14-18(7-1-2-8-18)13-19-17(22)15-3-5-16(6-4-15)26(23,24)20-9-11-25-12-10-20/h3-6,21H,1-2,7-14H2,(H,19,22).
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-morpholin-4-ylsulfonylbenzamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 382.48 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 110416759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).