N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,2-dimethyl-1-benzofuran-5-carboxamide

C18H15N3O2S — CID 72918878

IUPACN-(2,1,3-benzothiadiazol-5-ylmethyl)-N,2-dimethyl-1-benzofuran-5-carboxamide
SMILESCc1cc2cc(C(=O)N(C)Cc3ccc4nsnc4c3)ccc2o1
InChIInChI=1S/C18H15N3O2S/c1-11-7-14-9-13(4-6-17(14)23-11)18(22)21(2)10-12-3-5-15-16(8-12)20-24-19-15/h3-9H,10H2,1-2H3
InChIKeyFQGJXWKLDASLQZ-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.02
Rot. Bonds3

About N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,2-dimethyl-1-benzofuran-5-carboxamide

N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,2-dimethyl-1-benzofuran-5-carboxamide (PubChem CID 72918878) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,2-dimethyl-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-N,2-dimethyl-1-benzofuran-5-carboxamide
PubChem CID72918878
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-N,2-dimethyl-1-benzofuran-5-carboxamide
SMILESCc1cc2cc(C(=O)N(C)Cc3ccc4nsnc4c3)ccc2o1
InChIInChI=1S/C18H15N3O2S/c1-11-7-14-9-13(4-6-17(14)23-11)18(22)21(2)10-12-3-5-15-16(8-12)20-24-19-15/h3-9H,10H2,1-2H3
InChIKeyFQGJXWKLDASLQZ-UHFFFAOYSA-N
XLogP4.02
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 2738880
Benzo[c][1,2,5]thiadiazol-5-yl(3-(4-methoxyphenyl)pyrrolidin-1-yl)methanone
CID 45555405
1'-(2,1,3-Benzothiadiazole-5-carbonyl)-3,4-dihydrospiro[1-benzopyran-2,3'-pyrrolidine]-4-one
CID 71805919
N-(2-(benzofuran-2-yl)-2-hydroxypropyl)benzo[c][1,2,5]thiadiazole-5-carboxamide
CID 86267105
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-propyl-2H-benzotriazole-5-carboxamide
CID 94538711
N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2,1,3-benzothiadiazole-5-carboxamide
CID 100692326
N-((1-(benzofuran-2-carbonyl)piperidin-4-yl)methyl)benzo[c][1,2,5]thiadiazole-5-carboxamide
CID 49690587
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2,6-difluoro-4-methoxy-N-methylbenzamide
CID 132415049
2-(2,1,3-Benzothiadiazol-5-yl)-1-(5-dibenzofuran-2-yl-3,4-dihydropyrazol-2-yl)ethanone
CID 16070684
1-N,3-N-bis(2,1,3-benzothiadiazol-5-ylmethyl)-4-methoxybenzene-1,3-dicarboxamide
CID 22248627
Benzotriazol-1-yl-(3-methyl-5-octyl-1-benzofuran-2-yl)methanone
CID 56975156
3-N-[bis(2,1,3-benzothiadiazol-5-yl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 69722905

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,2-dimethyl-1-benzofuran-5-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,2-dimethyl-1-benzofuran-5-carboxamide (CID 72918878) is N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,2-dimethyl-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,2-dimethyl-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,2-dimethyl-1-benzofuran-5-carboxamide is Cc1cc2cc(C(=O)N(C)Cc3ccc4nsnc4c3)ccc2o1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,2-dimethyl-1-benzofuran-5-carboxamide?
The InChIKey is FQGJXWKLDASLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-11-7-14-9-13(4-6-17(14)23-11)18(22)21(2)10-12-3-5-15-16(8-12)20-24-19-15/h3-9H,10H2,1-2H3.
What are the key properties of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,2-dimethyl-1-benzofuran-5-carboxamide?
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,2-dimethyl-1-benzofuran-5-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,2-dimethyl-1-benzofuran-5-carboxamide is sourced from PubChem (CID 72918878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).