5-[acetyl(propyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-3-methylthiophene-2-carboxamide

C19H22N2O4S — CID 145494835

IUPAC5-[acetyl(propyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-3-methylthiophene-2-carboxamide
SMILESCCCN(C(C)=O)c1cc(C)c(C(=O)NCc2ccc3c(c2)OCO3)s1
InChIInChI=1S/C19H22N2O4S/c1-4-7-21(13(3)22)17-8-12(2)18(26-17)19(23)20-10-14-5-6-15-16(9-14)25-11-24-15/h5-6,8-9H,4,7,10-11H2,1-3H3,(H,20,23)
InChIKeyBILCOMUXLJCFMO-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.48
Rot. Bonds6

About 5-[acetyl(propyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-3-methylthiophene-2-carboxamide

5-[acetyl(propyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-3-methylthiophene-2-carboxamide (PubChem CID 145494835) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 5-[acetyl(propyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[acetyl(propyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-3-methylthiophene-2-carboxamide
PubChem CID145494835
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name5-[acetyl(propyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-3-methylthiophene-2-carboxamide
SMILESCCCN(C(C)=O)c1cc(C)c(C(=O)NCc2ccc3c(c2)OCO3)s1
InChIInChI=1S/C19H22N2O4S/c1-4-7-21(13(3)22)17-8-12(2)18(26-17)19(23)20-10-14-5-6-15-16(9-14)25-11-24-15/h5-6,8-9H,4,7,10-11H2,1-3H3,(H,20,23)
InChIKeyBILCOMUXLJCFMO-UHFFFAOYSA-N
XLogP3.48
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[acetyl(propyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-3-methylthiophene-2-carboxamide;1-ethyl-4-fluorobenzene
CID 145494834
N-(1,3-benzodioxol-5-ylmethyl)-4-propylbenzamide
CID 2811298
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8869235
N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethylfuran-2-carboxamide
CID 110697623
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide
CID 670710
N-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 33394339
N-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-5-propylthiophene-2-carboxamide
CID 9035628
N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]methyl]benzamide
CID 171432416
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2-oxazole-3-carboxamide
CID 110851669
N-(1,3-benzodioxol-5-ylmethyl)-3-(dipropylamino)propanamide
CID 109022613
N-(1,3-benzodioxol-5-ylmethyl)-2-(dipropylamino)pyrimidine-5-carboxamide
CID 109258197
2-N-(1,3-benzodioxol-5-ylmethyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109086999

Frequently Asked Questions

What is the IUPAC name of 5-[acetyl(propyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-[acetyl(propyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-3-methylthiophene-2-carboxamide (CID 145494835) is 5-[acetyl(propyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-[acetyl(propyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-[acetyl(propyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-3-methylthiophene-2-carboxamide is CCCN(C(C)=O)c1cc(C)c(C(=O)NCc2ccc3c(c2)OCO3)s1.
What is the InChIKey of 5-[acetyl(propyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-3-methylthiophene-2-carboxamide?
The InChIKey is BILCOMUXLJCFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-4-7-21(13(3)22)17-8-12(2)18(26-17)19(23)20-10-14-5-6-15-16(9-14)25-11-24-15/h5-6,8-9H,4,7,10-11H2,1-3H3,(H,20,23).
What are the key properties of 5-[acetyl(propyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-3-methylthiophene-2-carboxamide?
5-[acetyl(propyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-3-methylthiophene-2-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[acetyl(propyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 145494835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).