2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide

C18H29N3O4S — CID 132657785

IUPAC2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCc1cccc(N(C(C)C(=O)NCCCN2CCOCC2)S(C)(=O)=O)c1
InChIInChI=1S/C18H29N3O4S/c1-15-6-4-7-17(14-15)21(26(3,23)24)16(2)18(22)19-8-5-9-20-10-12-25-13-11-20/h4,6-7,14,16H,5,8-13H2,1-3H3,(H,19,22)
InChIKeyFTMPUAGYZDTZNC-UHFFFAOYSA-N
MW383.51 g/mol
LogP0.99
Rot. Bonds8

About 2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide

2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide (PubChem CID 132657785) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is 2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide
PubChem CID132657785
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCc1cccc(N(C(C)C(=O)NCCCN2CCOCC2)S(C)(=O)=O)c1
InChIInChI=1S/C18H29N3O4S/c1-15-6-4-7-17(14-15)21(26(3,23)24)16(2)18(22)19-8-5-9-20-10-12-25-13-11-20/h4,6-7,14,16H,5,8-13H2,1-3H3,(H,19,22)
InChIKeyFTMPUAGYZDTZNC-UHFFFAOYSA-N
XLogP0.99
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide
CID 6492936
2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6494051
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 132659439
N-(3-methylphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide
CID 95119028
2-(4-chloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 50944624
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 125072410
2-(3-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 6493657
(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 92764440
2-(3-methoxy-N-methylsulfonylanilino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 133204189
(2S)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 92764890
N-(2,6-dimethylphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 132654304
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)butanamide
CID 132670674

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide?
The IUPAC name of 2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide (CID 132657785) is 2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide.
What is the SMILES notation for 2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide?
The canonical SMILES for 2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide is Cc1cccc(N(C(C)C(=O)NCCCN2CCOCC2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide?
The InChIKey is FTMPUAGYZDTZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-15-6-4-7-17(14-15)21(26(3,23)24)16(2)18(22)19-8-5-9-20-10-12-25-13-11-20/h4,6-7,14,16H,5,8-13H2,1-3H3,(H,19,22).
What are the key properties of 2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide?
2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide has a molecular weight of 383.51 g/mol, XLogP of 0.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 132657785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).