N-(2-cyclopentyl-2-methylpentan-3-yl)-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide

C26H41N3O5S — CID 143465360

IUPACN-(2-cyclopentyl-2-methylpentan-3-yl)-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCC(NC(=O)c1ccc(N2CCOCC2)c(S(=O)(=O)N2CCOCC2)c1)C(C)(C)C1CCCC1
InChIInChI=1S/C26H41N3O5S/c1-4-24(26(2,3)21-7-5-6-8-21)27-25(30)20-9-10-22(28-11-15-33-16-12-28)23(19-20)35(31,32)29-13-17-34-18-14-29/h9-10,19,21,24H,4-8,11-18H2,1-3H3,(H,27,30)
InChIKeyWDKNNWUQOGBQIU-UHFFFAOYSA-N
MW507.70 g/mol
LogP3.27
Rot. Bonds8

About N-(2-cyclopentyl-2-methylpentan-3-yl)-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide

N-(2-cyclopentyl-2-methylpentan-3-yl)-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 143465360) has the molecular formula C26H41N3O5S and a molecular weight of 507.70 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-methylpentan-3-yl)-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-methylpentan-3-yl)-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID143465360
Molecular FormulaC26H41N3O5S
Molecular Weight507.70 g/mol
Exact Mass507.28
IUPAC NameN-(2-cyclopentyl-2-methylpentan-3-yl)-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCC(NC(=O)c1ccc(N2CCOCC2)c(S(=O)(=O)N2CCOCC2)c1)C(C)(C)C1CCCC1
InChIInChI=1S/C26H41N3O5S/c1-4-24(26(2,3)21-7-5-6-8-21)27-25(30)20-9-10-22(28-11-15-33-16-12-28)23(19-20)35(31,32)29-13-17-34-18-14-29/h9-10,19,21,24H,4-8,11-18H2,1-3H3,(H,27,30)
InChIKeyWDKNNWUQOGBQIU-UHFFFAOYSA-N
XLogP3.27
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.70
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide
CID 46349179
N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584081
N-cyclopentyl-4-pyrrolidin-1-yl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46349079
N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349269
4-methyl-3-morpholin-4-ylsulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733202
N-[2-(2-chlorophenyl)ethyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide
CID 46349202
4-fluoro-N-[(2S)-3-methylbutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 51881548
3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid
CID 119221567
4-chloro-3-morpholin-4-ylsulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7581832
2-cyclopropyl-2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 119213875
4-chloro-N-(5-methylhexan-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 42904495
4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92874908

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-methylpentan-3-yl)-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2-cyclopentyl-2-methylpentan-3-yl)-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide (CID 143465360) is N-(2-cyclopentyl-2-methylpentan-3-yl)-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-cyclopentyl-2-methylpentan-3-yl)-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2-cyclopentyl-2-methylpentan-3-yl)-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide is CCC(NC(=O)c1ccc(N2CCOCC2)c(S(=O)(=O)N2CCOCC2)c1)C(C)(C)C1CCCC1.
What is the InChIKey of N-(2-cyclopentyl-2-methylpentan-3-yl)-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is WDKNNWUQOGBQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O5S/c1-4-24(26(2,3)21-7-5-6-8-21)27-25(30)20-9-10-22(28-11-15-33-16-12-28)23(19-20)35(31,32)29-13-17-34-18-14-29/h9-10,19,21,24H,4-8,11-18H2,1-3H3,(H,27,30).
What are the key properties of N-(2-cyclopentyl-2-methylpentan-3-yl)-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide?
N-(2-cyclopentyl-2-methylpentan-3-yl)-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 507.70 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-methylpentan-3-yl)-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 143465360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).