N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide

C21H29N3O4S — CID 2998976

IUPACN-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(CCSC)C(=O)NCC(c1ccco1)N(C)C
InChIInChI=1S/C21H29N3O4S/c1-24(2)17(19-10-7-12-28-19)14-22-21(26)16(11-13-29-4)23-20(25)15-8-5-6-9-18(15)27-3/h5-10,12,16-17H,11,13-14H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyXZRGQPAYKFMQCE-UHFFFAOYSA-N
MW419.55 g/mol
LogP2.56
Rot. Bonds11

About N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide

N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide (PubChem CID 2998976) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
PubChem CID2998976
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC NameN-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(CCSC)C(=O)NCC(c1ccco1)N(C)C
InChIInChI=1S/C21H29N3O4S/c1-24(2)17(19-10-7-12-28-19)14-22-21(26)16(11-13-29-4)23-20(25)15-8-5-6-9-18(15)27-3/h5-10,12,16-17H,11,13-14H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyXZRGQPAYKFMQCE-UHFFFAOYSA-N
XLogP2.56
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide with MolForge

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Related Compounds

N-(2-Furylmethyl)-2-methoxybenzamide
CID 803371
N-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]furan-2-carboxamide
CID 2713259
N-[1-(cyclohexylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 4883868
3-cyano-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 4884702
N-{1-[(Furan-2-ylmethyl)-carbamoyl]-2-phenyl-vinyl}-2-methoxy-benzamide
CID 5763722
4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methoxypropyl)benzamide
CID 6488404
N-[2-(dimethylamino)-2-(2-furanyl)ethyl]-4-(trifluoromethyl)benzamide
CID 16394140
N-[2-(furan-2-yl)-2-(morpholin-4-yl)ethyl]-4-methylbenzamide
CID 16453204
N-[2-(furan-2-yl)-2-(piperidin-1-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 18161373
2-ethoxy-N-(furan-2-ylmethyl)benzamide
CID 649290
2-(4-acetylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide
CID 4878012
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 1082885

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide (CID 2998976) is N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide is COc1ccccc1C(=O)NC(CCSC)C(=O)NCC(c1ccco1)N(C)C.
What is the InChIKey of N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide?
The InChIKey is XZRGQPAYKFMQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-24(2)17(19-10-7-12-28-19)14-22-21(26)16(11-13-29-4)23-20(25)15-8-5-6-9-18(15)27-3/h5-10,12,16-17H,11,13-14H2,1-4H3,(H,22,26)(H,23,25).
What are the key properties of N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide?
N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide has a molecular weight of 419.55 g/mol, XLogP of 2.56, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 2998976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).