N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

C24H39N3O4S — CID 55657990

IUPACN-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCC1CCN(C(CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C(C)C)CC1
InChIInChI=1S/C24H39N3O4S/c1-19(2)23(26-12-10-20(3)11-13-26)18-25-24(28)9-6-21-4-7-22(8-5-21)32(29,30)27-14-16-31-17-15-27/h4-5,7-8,19-20,23H,6,9-18H2,1-3H3,(H,25,28)
InChIKeyYUGNECQEUQIKSM-UHFFFAOYSA-N
MW465.66 g/mol
LogP2.51
Rot. Bonds9

About N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 55657990) has the molecular formula C24H39N3O4S and a molecular weight of 465.66 g/mol. Its IUPAC name is N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID55657990
Molecular FormulaC24H39N3O4S
Molecular Weight465.66 g/mol
Exact Mass465.27
IUPAC NameN-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCC1CCN(C(CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C(C)C)CC1
InChIInChI=1S/C24H39N3O4S/c1-19(2)23(26-12-10-20(3)11-13-26)18-25-24(28)9-6-21-4-7-22(8-5-21)32(29,30)27-14-16-31-17-15-27/h4-5,7-8,19-20,23H,6,9-18H2,1-3H3,(H,25,28)
InChIKeyYUGNECQEUQIKSM-UHFFFAOYSA-N
XLogP2.51
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.66
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-methyl-2-morpholin-4-ylbutyl)propanamide
CID 55520546
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 43049020
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55723412
N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 34941503
N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 24678012
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)propanamide
CID 43067318
3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide
CID 42907294
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 55316309
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 98518961
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30402422
5-(4-bromophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)pentanamide
CID 55758909

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 55657990) is N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is CC1CCN(C(CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C(C)C)CC1.
What is the InChIKey of N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is YUGNECQEUQIKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O4S/c1-19(2)23(26-12-10-20(3)11-13-26)18-25-24(28)9-6-21-4-7-22(8-5-21)32(29,30)27-14-16-31-17-15-27/h4-5,7-8,19-20,23H,6,9-18H2,1-3H3,(H,25,28).
What are the key properties of N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 465.66 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 55657990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).