N-[3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)pentanamide

C20H26N4O5S — CID 42737226

IUPACN-[3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)pentanamide
SMILESCCCCC(=O)N(CCOC)CCC(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1
InChIInChI=1S/C20H26N4O5S/c1-3-4-5-18(26)24(10-11-27-2)9-8-17(25)21-20-23-22-19(30-20)14-6-7-15-16(12-14)29-13-28-15/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,21,23,25)
InChIKeyRLWYDRNBGGWKAM-UHFFFAOYSA-N
MW434.52 g/mol
LogP2.93
Rot. Bonds11

About N-[3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)pentanamide

N-[3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)pentanamide (PubChem CID 42737226) has the molecular formula C20H26N4O5S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)pentanamide.

Molecular Properties

Compound NameN-[3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)pentanamide
PubChem CID42737226
Molecular FormulaC20H26N4O5S
Molecular Weight434.52 g/mol
Exact Mass434.16
IUPAC NameN-[3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)pentanamide
SMILESCCCCC(=O)N(CCOC)CCC(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1
InChIInChI=1S/C20H26N4O5S/c1-3-4-5-18(26)24(10-11-27-2)9-8-17(25)21-20-23-22-19(30-20)14-6-7-15-16(12-14)29-13-28-15/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,21,23,25)
InChIKeyRLWYDRNBGGWKAM-UHFFFAOYSA-N
XLogP2.93
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-2-ethyl-N-propylhexanamide
CID 3938532
N-[3-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 4044504
3-[benzenesulfonyl(propyl)amino]-N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 42736707
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]propanamide
CID 42737034
N-[3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropanecarboxamide
CID 42736967
N-[3-[[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-4-butoxy-N-(2-methoxyethyl)benzamide
CID 42737325
N-[1-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]heptanamide
CID 4242285
N-[3-oxo-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]-N-propylbutanamide
CID 42736433
N-(2-methoxyethyl)-N-[3-oxo-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]furan-2-carboxamide
CID 42737097
N-[3-[[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)benzamide
CID 42737291
N-[3-[[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 42737314
ethyl 4-[butyl-[3-oxo-3-[[5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]amino]propyl]amino]-4-oxobutanoate
CID 3547184

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)pentanamide?
The IUPAC name of N-[3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)pentanamide (CID 42737226) is N-[3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)pentanamide.
What is the SMILES notation for N-[3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)pentanamide?
The canonical SMILES for N-[3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)pentanamide is CCCCC(=O)N(CCOC)CCC(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1.
What is the InChIKey of N-[3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)pentanamide?
The InChIKey is RLWYDRNBGGWKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5S/c1-3-4-5-18(26)24(10-11-27-2)9-8-17(25)21-20-23-22-19(30-20)14-6-7-15-16(12-14)29-13-28-15/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,21,23,25).
What are the key properties of N-[3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)pentanamide?
N-[3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)pentanamide has a molecular weight of 434.52 g/mol, XLogP of 2.93, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)pentanamide is sourced from PubChem (CID 42737226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).