N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(methylsulfinylmethyl)benzamide

C20H32N2O3S — CID 134053135

IUPACN-(3-ethyl-2-morpholin-4-ylpentyl)-3-(methylsulfinylmethyl)benzamide
SMILESCCC(CC)C(CNC(=O)c1cccc(CS(C)=O)c1)N1CCOCC1
InChIInChI=1S/C20H32N2O3S/c1-4-17(5-2)19(22-9-11-25-12-10-22)14-21-20(23)18-8-6-7-16(13-18)15-26(3)24/h6-8,13,17,19H,4-5,9-12,14-15H2,1-3H3,(H,21,23)
InChIKeyBHFGRVOPBVBNQL-UHFFFAOYSA-N
MW380.55 g/mol
LogP2.43
Rot. Bonds9

About N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(methylsulfinylmethyl)benzamide

N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(methylsulfinylmethyl)benzamide (PubChem CID 134053135) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(methylsulfinylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-ethyl-2-morpholin-4-ylpentyl)-3-(methylsulfinylmethyl)benzamide
PubChem CID134053135
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC NameN-(3-ethyl-2-morpholin-4-ylpentyl)-3-(methylsulfinylmethyl)benzamide
SMILESCCC(CC)C(CNC(=O)c1cccc(CS(C)=O)c1)N1CCOCC1
InChIInChI=1S/C20H32N2O3S/c1-4-17(5-2)19(22-9-11-25-12-10-22)14-21-20(23)18-8-6-7-16(13-18)15-26(3)24/h6-8,13,17,19H,4-5,9-12,14-15H2,1-3H3,(H,21,23)
InChIKeyBHFGRVOPBVBNQL-UHFFFAOYSA-N
XLogP2.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 46439821
3-[[[N-(3-ethyl-2-morpholin-4-ylpentyl)-N'-methylcarbamimidoyl]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111936698
3-chloro-N-[2-[(3-ethyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide
CID 55550745
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 134053109
N-(3-ethyl-2-morpholin-4-ylpentyl)-1-oxidopyridin-1-ium-3-carboxamide
CID 43046384
2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)quinoline-6-carboxamide
CID 55731335
2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
CID 75689586
N-(3-ethyl-2-morpholin-4-ylpentyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 78869073
4-(difluoromethylsulfonylmethyl)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]benzamide
CID 96534807
1-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrole-2-carboxamide
CID 55585125
4-(difluoromethoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-methoxybenzamide
CID 43046344
1-ethyl-N-(3-ethyl-2-morpholin-4-ylpentyl)benzotriazole-5-carboxamide
CID 134053070

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(methylsulfinylmethyl)benzamide?
The IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(methylsulfinylmethyl)benzamide (CID 134053135) is N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(methylsulfinylmethyl)benzamide.
What is the SMILES notation for N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(methylsulfinylmethyl)benzamide?
The canonical SMILES for N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(methylsulfinylmethyl)benzamide is CCC(CC)C(CNC(=O)c1cccc(CS(C)=O)c1)N1CCOCC1.
What is the InChIKey of N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(methylsulfinylmethyl)benzamide?
The InChIKey is BHFGRVOPBVBNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3S/c1-4-17(5-2)19(22-9-11-25-12-10-22)14-21-20(23)18-8-6-7-16(13-18)15-26(3)24/h6-8,13,17,19H,4-5,9-12,14-15H2,1-3H3,(H,21,23).
What are the key properties of N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(methylsulfinylmethyl)benzamide?
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(methylsulfinylmethyl)benzamide has a molecular weight of 380.55 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(methylsulfinylmethyl)benzamide is sourced from PubChem (CID 134053135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).