N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide

C19H19N3O5S — CID 39641892

IUPACN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1cc(C(=O)NCC(=O)NCc2ccco2)ccc1OCc1cscn1
InChIInChI=1S/C19H19N3O5S/c1-25-17-7-13(4-5-16(17)27-10-14-11-28-12-22-14)19(24)21-9-18(23)20-8-15-3-2-6-26-15/h2-7,11-12H,8-10H2,1H3,(H,20,23)(H,21,24)
InChIKeyDEAITFRPTNJFSV-UHFFFAOYSA-N
MW401.44 g/mol
LogP2.37
Rot. Bonds9

About N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 39641892) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID39641892
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1cc(C(=O)NCC(=O)NCc2ccco2)ccc1OCc1cscn1
InChIInChI=1S/C19H19N3O5S/c1-25-17-7-13(4-5-16(17)27-10-14-11-28-12-22-14)19(24)21-9-18(23)20-8-15-3-2-6-26-15/h2-7,11-12H,8-10H2,1H3,(H,20,23)(H,21,24)
InChIKeyDEAITFRPTNJFSV-UHFFFAOYSA-N
XLogP2.37
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxybenzamide
CID 9081389
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 18208692
N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78855067
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24517194
3-amino-4-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63830367
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 35808851
3,5-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 9081404
3-ethyl-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 110761912
3-bromo-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 935458
N-[(3-butoxyphenyl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55787478
3-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 37436089
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-propoxybenzamide
CID 18118956

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 39641892) is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide is COc1cc(C(=O)NCC(=O)NCc2ccco2)ccc1OCc1cscn1.
What is the InChIKey of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is DEAITFRPTNJFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-25-17-7-13(4-5-16(17)27-10-14-11-28-12-22-14)19(24)21-9-18(23)20-8-15-3-2-6-26-15/h2-7,11-12H,8-10H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 401.44 g/mol, XLogP of 2.37, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 39641892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).