N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide

C22H25N3O4S2 — CID 55373062

IUPACN-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)cc1OCC
InChIInChI=1S/C22H25N3O4S2/c1-4-10-29-18-8-6-15(11-19(18)28-5-2)21(27)25-22-24-17(13-30-22)20-9-7-16(31-20)12-23-14(3)26/h6-9,11,13H,4-5,10,12H2,1-3H3,(H,23,26)(H,24,25,27)
InChIKeyLALNDNOQCASMAE-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.95
Rot. Bonds10

About N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide (PubChem CID 55373062) has the molecular formula C22H25N3O4S2 and a molecular weight of 459.59 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide.

Molecular Properties

Compound NameN-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide
PubChem CID55373062
Molecular FormulaC22H25N3O4S2
Molecular Weight459.59 g/mol
Exact Mass459.13
IUPAC NameN-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)cc1OCC
InChIInChI=1S/C22H25N3O4S2/c1-4-10-29-18-8-6-15(11-19(18)28-5-2)21(27)25-22-24-17(13-30-22)20-9-7-16(31-20)12-23-14(3)26/h6-9,11,13H,4-5,10,12H2,1-3H3,(H,23,26)(H,24,25,27)
InChIKeyLALNDNOQCASMAE-UHFFFAOYSA-N
XLogP4.95
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-3-ethoxy-4-propoxybenzamide
CID 51248167
3-ethoxy-4-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 24570098
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-methoxybenzamide
CID 42378203
methyl 6-[[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
CID 30749165
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-bromo-5-fluorobenzamide
CID 55756304
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27287507
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 55372926
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-4-(4-cyano-2-methoxyphenoxy)butanamide
CID 55756627
3-amino-4-propoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 110502865
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55576425
(3R)-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41061377
N-[[5-[2-[(N'-methylcarbamimidoyl)amino]-1,3-thiazol-4-yl]thiophen-2-yl]methyl]acetamide
CID 67849968

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide?
The IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide (CID 55373062) is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide.
What is the SMILES notation for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide?
The canonical SMILES for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)cc1OCC.
What is the InChIKey of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide?
The InChIKey is LALNDNOQCASMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S2/c1-4-10-29-18-8-6-15(11-19(18)28-5-2)21(27)25-22-24-17(13-30-22)20-9-7-16(31-20)12-23-14(3)26/h6-9,11,13H,4-5,10,12H2,1-3H3,(H,23,26)(H,24,25,27).
What are the key properties of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide?
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide has a molecular weight of 459.59 g/mol, XLogP of 4.95, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide is sourced from PubChem (CID 55373062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).