N-(3-methoxypropyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide

C17H28N2O4S — CID 113143055

IUPACN-(3-methoxypropyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide
SMILESCOCCCNC(=O)CCN(c1ccc(C(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C17H28N2O4S/c1-14(2)15-6-8-16(9-7-15)19(24(4,21)22)12-10-17(20)18-11-5-13-23-3/h6-9,14H,5,10-13H2,1-4H3,(H,18,20)
InChIKeyIIZQKBKDFATQCL-UHFFFAOYSA-N
MW356.49 g/mol
LogP2.12
Rot. Bonds10

About N-(3-methoxypropyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide

N-(3-methoxypropyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide (PubChem CID 113143055) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide
PubChem CID113143055
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC NameN-(3-methoxypropyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide
SMILESCOCCCNC(=O)CCN(c1ccc(C(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C17H28N2O4S/c1-14(2)15-6-8-16(9-7-15)19(24(4,21)22)12-10-17(20)18-11-5-13-23-3/h6-9,14H,5,10-13H2,1-4H3,(H,18,20)
InChIKeyIIZQKBKDFATQCL-UHFFFAOYSA-N
XLogP2.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141879
3-(4-tert-butyl-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 113143349
N-(2-methoxyethyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145280
N-butyl-3-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 113144672
4-(4-fluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide
CID 21367556
N-(3-methoxypropyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 2272160
N-(3-methoxypropyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766794
N-butyl-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141870
2-(2-methylphenyl)-N-[2-(N-methylsulfonyl-4-propan-2-ylanilino)ethyl]acetamide
CID 113069429
2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 2260858
3-(4-chloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113143874
3-(4-acetyl-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113145417

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide?
The IUPAC name of N-(3-methoxypropyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide (CID 113143055) is N-(3-methoxypropyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide?
The canonical SMILES for N-(3-methoxypropyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide is COCCCNC(=O)CCN(c1ccc(C(C)C)cc1)S(C)(=O)=O.
What is the InChIKey of N-(3-methoxypropyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide?
The InChIKey is IIZQKBKDFATQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-14(2)15-6-8-16(9-7-15)19(24(4,21)22)12-10-17(20)18-11-5-13-23-3/h6-9,14H,5,10-13H2,1-4H3,(H,18,20).
What are the key properties of N-(3-methoxypropyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide?
N-(3-methoxypropyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide has a molecular weight of 356.49 g/mol, XLogP of 2.12, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide is sourced from PubChem (CID 113143055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).