N-[1-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide

C20H25ClN2O3S2 — CID 55361039

IUPACN-[1-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)C(CCSC)NC(=O)c1ccccc1OC
InChIInChI=1S/C20H25ClN2O3S2/c1-4-23(13-14-9-10-18(21)28-14)20(25)16(11-12-27-3)22-19(24)15-7-5-6-8-17(15)26-2/h5-10,16H,4,11-13H2,1-3H3,(H,22,24)
InChIKeyXGYKPVQUORURSP-UHFFFAOYSA-N
MW441.02 g/mol
LogP4.31
Rot. Bonds10

About N-[1-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide

N-[1-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide (PubChem CID 55361039) has the molecular formula C20H25ClN2O3S2 and a molecular weight of 441.02 g/mol. Its IUPAC name is N-[1-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
PubChem CID55361039
Molecular FormulaC20H25ClN2O3S2
Molecular Weight441.02 g/mol
Exact Mass440.10
IUPAC NameN-[1-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)C(CCSC)NC(=O)c1ccccc1OC
InChIInChI=1S/C20H25ClN2O3S2/c1-4-23(13-14-9-10-18(21)28-14)20(25)16(11-12-27-3)22-19(24)15-7-5-6-8-17(15)26-2/h5-10,16H,4,11-13H2,1-3H3,(H,22,24)
InChIKeyXGYKPVQUORURSP-UHFFFAOYSA-N
XLogP4.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.02
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide with MolForge

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 55361057
ethyl (2S)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate
CID 35526508
(2S)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate
CID 2451199
(2R)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate
CID 2451201
2-chloro-N-[1-[ethyl(2-hydroxyethyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 78796120
2-methoxy-N-[4-methylsulfanyl-1-[(5-methylthiophen-2-yl)methylamino]-1-oxobutan-2-yl]benzamide
CID 55749351
N-[1-[2-(4-chlorobenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 46651561
N-[1-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55480724
2-methoxy-N-[(2R)-4-methylsulfanyl-1-oxo-1-(prop-2-ynylamino)butan-2-yl]benzamide
CID 9267245
N-[1-(2-hydroxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 43018299
N-[1-[[3-(dimethylamino)-3-oxopropyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55752115
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-4-methoxybutanamide
CID 62473043

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[1-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide (CID 55361039) is N-[1-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[1-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[1-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide is CCN(Cc1ccc(Cl)s1)C(=O)C(CCSC)NC(=O)c1ccccc1OC.
What is the InChIKey of N-[1-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide?
The InChIKey is XGYKPVQUORURSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S2/c1-4-23(13-14-9-10-18(21)28-14)20(25)16(11-12-27-3)22-19(24)15-7-5-6-8-17(15)26-2/h5-10,16H,4,11-13H2,1-3H3,(H,22,24).
What are the key properties of N-[1-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide?
N-[1-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide has a molecular weight of 441.02 g/mol, XLogP of 4.31, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 55361039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).