2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4,5-dimethylthiophene-3-carboxamide

C19H19N3O4S2 — CID 56500354

IUPAC2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCOc1cc(C(=O)Nc2sc(C)c(C)c2C(N)=O)ccc1OCc1cscn1
InChIInChI=1S/C19H19N3O4S2/c1-10-11(2)28-19(16(10)17(20)23)22-18(24)12-4-5-14(15(6-12)25-3)26-7-13-8-27-9-21-13/h4-6,8-9H,7H2,1-3H3,(H2,20,23)(H,22,24)
InChIKeyNBZLYJOMMKABFO-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.76
Rot. Bonds7

About 2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4,5-dimethylthiophene-3-carboxamide

2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 56500354) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID56500354
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC Name2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCOc1cc(C(=O)Nc2sc(C)c(C)c2C(N)=O)ccc1OCc1cscn1
InChIInChI=1S/C19H19N3O4S2/c1-10-11(2)28-19(16(10)17(20)23)22-18(24)12-4-5-14(15(6-12)25-3)26-7-13-8-27-9-21-13/h4-6,8-9H,7H2,1-3H3,(H2,20,23)(H,22,24)
InChIKeyNBZLYJOMMKABFO-UHFFFAOYSA-N
XLogP3.76
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4,5-dimethylthiophene-3-carboxamide with MolForge

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Related Compounds

2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 841038
2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]butanoic acid
CID 119223643
N-(4-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55577321
N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46577798
N-(3-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55585441
N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78855067
2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-3-methylpentanoic acid
CID 119211791
3-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 37436089
1-N,3-N-bis(3-carbamoyl-4,5-dimethylthiophen-2-yl)benzene-1,3-dicarboxamide
CID 4144857
ethyl N-[1-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate
CID 55654844
3-methoxy-N-[3-(2-methoxyethoxy)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55878725
3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55577038

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4,5-dimethylthiophene-3-carboxamide (CID 56500354) is 2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4,5-dimethylthiophene-3-carboxamide is COc1cc(C(=O)Nc2sc(C)c(C)c2C(N)=O)ccc1OCc1cscn1.
What is the InChIKey of 2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is NBZLYJOMMKABFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-10-11(2)28-19(16(10)17(20)23)22-18(24)12-4-5-14(15(6-12)25-3)26-7-13-8-27-9-21-13/h4-6,8-9H,7H2,1-3H3,(H2,20,23)(H,22,24).
What are the key properties of 2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4,5-dimethylthiophene-3-carboxamide?
2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 56500354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).