N-[2-[[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide

C19H20N4O4S2 — CID 30874585

IUPACN-[2-[[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCC(=O)NCc1ccc(-c2nc(NC(=O)CN(C)C(=O)c3ccco3)sc2C)s1
InChIInChI=1S/C19H20N4O4S2/c1-11-17(15-7-6-13(29-15)9-20-12(2)24)22-19(28-11)21-16(25)10-23(3)18(26)14-5-4-8-27-14/h4-8H,9-10H2,1-3H3,(H,20,24)(H,21,22,25)
InChIKeyQZLDJOBQKCFYOF-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.12
Rot. Bonds7

About N-[2-[[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide

N-[2-[[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide (PubChem CID 30874585) has the molecular formula C19H20N4O4S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[2-[[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
PubChem CID30874585
Molecular FormulaC19H20N4O4S2
Molecular Weight432.53 g/mol
Exact Mass432.09
IUPAC NameN-[2-[[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCC(=O)NCc1ccc(-c2nc(NC(=O)CN(C)C(=O)c3ccco3)sc2C)s1
InChIInChI=1S/C19H20N4O4S2/c1-11-17(15-7-6-13(29-15)9-20-12(2)24)22-19(28-11)21-16(25)10-23(3)18(26)14-5-4-8-27-14/h4-8H,9-10H2,1-3H3,(H,20,24)(H,21,22,25)
InChIKeyQZLDJOBQKCFYOF-UHFFFAOYSA-N
XLogP3.12
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
CID 37389412
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(2-phenylethoxy)butanamide
CID 112841389
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 55760608
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 37389983
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 33041075
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-methylbenzamide
CID 37389788
N-[2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 47070902
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 112818794
3-acetamido-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)propanamide
CID 55600225
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119293306
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 30874724
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 120589150

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[2-[[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide (CID 30874585) is N-[2-[[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-[[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide is CC(=O)NCc1ccc(-c2nc(NC(=O)CN(C)C(=O)c3ccco3)sc2C)s1.
What is the InChIKey of N-[2-[[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The InChIKey is QZLDJOBQKCFYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S2/c1-11-17(15-7-6-13(29-15)9-20-12(2)24)22-19(28-11)21-16(25)10-23(3)18(26)14-5-4-8-27-14/h4-8H,9-10H2,1-3H3,(H,20,24)(H,21,22,25).
What are the key properties of N-[2-[[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
N-[2-[[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 30874585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).