N-butyl-N-[5-(3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide

C20H23N3O3S2 — CID 3212755

IUPACN-butyl-N-[5-(3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESCCCCN(C(=O)Cc1cccs1)c1nnc(-c2cc(OC)cc(OC)c2)s1
InChIInChI=1S/C20H23N3O3S2/c1-4-5-8-23(18(24)13-17-7-6-9-27-17)20-22-21-19(28-20)14-10-15(25-2)12-16(11-14)26-3/h6-7,9-12H,4-5,8,13H2,1-3H3
InChIKeyIAZSMMXVVOFPTO-UHFFFAOYSA-N
MW417.56 g/mol
LogP4.66
Rot. Bonds9

About N-butyl-N-[5-(3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide

N-butyl-N-[5-(3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 3212755) has the molecular formula C20H23N3O3S2 and a molecular weight of 417.56 g/mol. Its IUPAC name is N-butyl-N-[5-(3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-butyl-N-[5-(3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
PubChem CID3212755
Molecular FormulaC20H23N3O3S2
Molecular Weight417.56 g/mol
Exact Mass417.12
IUPAC NameN-butyl-N-[5-(3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESCCCCN(C(=O)Cc1cccs1)c1nnc(-c2cc(OC)cc(OC)c2)s1
InChIInChI=1S/C20H23N3O3S2/c1-4-5-8-23(18(24)13-17-7-6-9-27-17)20-22-21-19(28-20)14-10-15(25-2)12-16(11-14)26-3/h6-7,9-12H,4-5,8,13H2,1-3H3
InChIKeyIAZSMMXVVOFPTO-UHFFFAOYSA-N
XLogP4.66
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 3230629
N-butyl-2-methoxy-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3230606
3-[butan-2-yl-(2-thiophen-2-ylacetyl)amino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 42736937
N-butyl-N-[5-(4-formylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 58390901
3-[4-[5-[butyl-(3-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]phenyl]propanoic acid;N-butyl-N-[5-(4-sulfamoylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 158492674
N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 112995358
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-thiophen-2-ylacetamide
CID 41341376
N-(2-methoxyethyl)-3-(2-methoxyphenyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 3212720
N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide;hydrochloride
CID 44919627
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbutanamide
CID 3230592
N-butyl-6-fluoro-N-[5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-butyl-N-[5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
CID 67230386
N-butyl-2-(2-chlorophenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 174634834

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[5-(3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-butyl-N-[5-(3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide (CID 3212755) is N-butyl-N-[5-(3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-butyl-N-[5-(3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-butyl-N-[5-(3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide is CCCCN(C(=O)Cc1cccs1)c1nnc(-c2cc(OC)cc(OC)c2)s1.
What is the InChIKey of N-butyl-N-[5-(3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is IAZSMMXVVOFPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S2/c1-4-5-8-23(18(24)13-17-7-6-9-27-17)20-22-21-19(28-20)14-10-15(25-2)12-16(11-14)26-3/h6-7,9-12H,4-5,8,13H2,1-3H3.
What are the key properties of N-butyl-N-[5-(3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
N-butyl-N-[5-(3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 417.56 g/mol, XLogP of 4.66, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[5-(3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 3212755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).