4-(methanesulfonamido)-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]benzamide

C18H29N3O4S — CID 25331278

IUPAC4-(methanesulfonamido)-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]benzamide
SMILESCC(C)C[C@H](CNC(=O)c1ccc(NS(C)(=O)=O)cc1)N1CCOCC1
InChIInChI=1S/C18H29N3O4S/c1-14(2)12-17(21-8-10-25-11-9-21)13-19-18(22)15-4-6-16(7-5-15)20-26(3,23)24/h4-7,14,17,20H,8-13H2,1-3H3,(H,19,22)/t17-/m1/s1
InChIKeyAATQAONJBNUAER-QGZVFWFLSA-N
MW383.51 g/mol
LogP1.53
Rot. Bonds8

About 4-(methanesulfonamido)-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]benzamide

4-(methanesulfonamido)-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]benzamide (PubChem CID 25331278) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]benzamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]benzamide
PubChem CID25331278
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name4-(methanesulfonamido)-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]benzamide
SMILESCC(C)C[C@H](CNC(=O)c1ccc(NS(C)(=O)=O)cc1)N1CCOCC1
InChIInChI=1S/C18H29N3O4S/c1-14(2)12-17(21-8-10-25-11-9-21)13-19-18(22)15-4-6-16(7-5-15)20-26(3,23)24/h4-7,14,17,20H,8-13H2,1-3H3,(H,19,22)/t17-/m1/s1
InChIKeyAATQAONJBNUAER-QGZVFWFLSA-N
XLogP1.53
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]benzamide?
The IUPAC name of 4-(methanesulfonamido)-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]benzamide (CID 25331278) is 4-(methanesulfonamido)-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]benzamide.
What is the SMILES notation for 4-(methanesulfonamido)-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]benzamide?
The canonical SMILES for 4-(methanesulfonamido)-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]benzamide is CC(C)C[C@H](CNC(=O)c1ccc(NS(C)(=O)=O)cc1)N1CCOCC1.
What is the InChIKey of 4-(methanesulfonamido)-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]benzamide?
The InChIKey is AATQAONJBNUAER-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-14(2)12-17(21-8-10-25-11-9-21)13-19-18(22)15-4-6-16(7-5-15)20-26(3,23)24/h4-7,14,17,20H,8-13H2,1-3H3,(H,19,22)/t17-/m1/s1.
What are the key properties of 4-(methanesulfonamido)-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]benzamide?
4-(methanesulfonamido)-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]benzamide has a molecular weight of 383.51 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]benzamide is sourced from PubChem (CID 25331278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).