N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

C18H25N3O4S2 — CID 55693772

IUPACN-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCCS(=O)(=O)N(C)CCCNC(=O)c1cccc(OCc2csc(C)n2)c1
InChIInChI=1S/C18H25N3O4S2/c1-4-27(23,24)21(3)10-6-9-19-18(22)15-7-5-8-17(11-15)25-12-16-13-26-14(2)20-16/h5,7-8,11,13H,4,6,9-10,12H2,1-3H3,(H,19,22)
InChIKeyRKQFHWQEVADPRP-UHFFFAOYSA-N
MW411.55 g/mol
LogP2.43
Rot. Bonds10

About N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (PubChem CID 55693772) has the molecular formula C18H25N3O4S2 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
PubChem CID55693772
Molecular FormulaC18H25N3O4S2
Molecular Weight411.55 g/mol
Exact Mass411.13
IUPAC NameN-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCCS(=O)(=O)N(C)CCCNC(=O)c1cccc(OCc2csc(C)n2)c1
InChIInChI=1S/C18H25N3O4S2/c1-4-27(23,24)21(3)10-6-9-19-18(22)15-7-5-8-17(11-15)25-12-16-13-26-14(2)20-16/h5,7-8,11,13H,4,6,9-10,12H2,1-3H3,(H,19,22)
InChIKeyRKQFHWQEVADPRP-UHFFFAOYSA-N
XLogP2.43
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55812442
N-[2-(4-methoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 34803674
2-[2-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]ethylsulfanyl]acetic acid
CID 119242448
N-[3-(2-methylpiperidin-1-yl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 51266645
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzamide
CID 55863880
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenylpropyl)benzamide
CID 55445874
N-(2-fluorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 17486337
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzamide
CID 55767126
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-propoxyphenyl)benzamide
CID 51262177
3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide
CID 119728935
N-ethyl-N-(2-ethylbutyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55689158
3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid
CID 119221411

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (CID 55693772) is N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is CCS(=O)(=O)N(C)CCCNC(=O)c1cccc(OCc2csc(C)n2)c1.
What is the InChIKey of N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The InChIKey is RKQFHWQEVADPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S2/c1-4-27(23,24)21(3)10-6-9-19-18(22)15-7-5-8-17(11-15)25-12-16-13-26-14(2)20-16/h5,7-8,11,13H,4,6,9-10,12H2,1-3H3,(H,19,22).
What are the key properties of N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide has a molecular weight of 411.55 g/mol, XLogP of 2.43, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 55693772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).