N-[2-[[4-[2-(dipropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide

C22H32N4O4S — CID 4183857

IUPACN-[2-[[4-[2-(dipropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
SMILESCCCN(CCC)C(=O)Cc1csc(NC(=O)CN(CC(C)C)C(=O)c2ccco2)n1
InChIInChI=1S/C22H32N4O4S/c1-5-9-25(10-6-2)20(28)12-17-15-31-22(23-17)24-19(27)14-26(13-16(3)4)21(29)18-8-7-11-30-18/h7-8,11,15-16H,5-6,9-10,12-14H2,1-4H3,(H,23,24,27)
InChIKeyFVHCVTLTBVGQME-UHFFFAOYSA-N
MW448.59 g/mol
LogP3.66
Rot. Bonds12

About N-[2-[[4-[2-(dipropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide

N-[2-[[4-[2-(dipropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide (PubChem CID 4183857) has the molecular formula C22H32N4O4S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-[2-[[4-[2-(dipropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[2-(dipropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
PubChem CID4183857
Molecular FormulaC22H32N4O4S
Molecular Weight448.59 g/mol
Exact Mass448.21
IUPAC NameN-[2-[[4-[2-(dipropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
SMILESCCCN(CCC)C(=O)Cc1csc(NC(=O)CN(CC(C)C)C(=O)c2ccco2)n1
InChIInChI=1S/C22H32N4O4S/c1-5-9-25(10-6-2)20(28)12-17-15-31-22(23-17)24-19(27)14-26(13-16(3)4)21(29)18-8-7-11-30-18/h7-8,11,15-16H,5-6,9-10,12-14H2,1-4H3,(H,23,24,27)
InChIKeyFVHCVTLTBVGQME-UHFFFAOYSA-N
XLogP3.66
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[4-[2-(3,4-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 42778974
N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]furan-2-carboxamide
CID 4124696
N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 5186555
N-[2-[[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 42778983
N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 4582365
N-[2-[[4-[2-(dipropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 3419400
N-[2-[[4-[2-[5-(diethylamino)pentan-2-ylamino]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide
CID 4057253
N-[2-oxo-2-[[4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide
CID 4609583
4-methyl-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 4653317
N-[2-[[4-[2-(dipropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 4142910
2-[2-[[2-[(4-fluorobenzoyl)-(2-methylpropyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 4690946
N-[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17472757

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[2-(dipropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide?
The IUPAC name of N-[2-[[4-[2-(dipropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide (CID 4183857) is N-[2-[[4-[2-(dipropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-[[4-[2-(dipropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide?
The canonical SMILES for N-[2-[[4-[2-(dipropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide is CCCN(CCC)C(=O)Cc1csc(NC(=O)CN(CC(C)C)C(=O)c2ccco2)n1.
What is the InChIKey of N-[2-[[4-[2-(dipropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide?
The InChIKey is FVHCVTLTBVGQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4S/c1-5-9-25(10-6-2)20(28)12-17-15-31-22(23-17)24-19(27)14-26(13-16(3)4)21(29)18-8-7-11-30-18/h7-8,11,15-16H,5-6,9-10,12-14H2,1-4H3,(H,23,24,27).
What are the key properties of N-[2-[[4-[2-(dipropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide?
N-[2-[[4-[2-(dipropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide has a molecular weight of 448.59 g/mol, XLogP of 3.66, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[2-(dipropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide is sourced from PubChem (CID 4183857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).