N-[(2R)-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

C25H32N4O4S — CID 25337091

IUPACN-[(2R)-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
SMILESCSCC[C@@H](NC(=O)c1ccccc1)C(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C25H32N4O4S/c1-28(25(32)22(12-17-34-2)27-24(31)19-6-4-3-5-7-19)18-23(30)26-20-8-10-21(11-9-20)29-13-15-33-16-14-29/h3-11,22H,12-18H2,1-2H3,(H,26,30)(H,27,31)/t22-/m1/s1
InChIKeyWZCRIXHXOZJYDM-JOCHJYFZSA-N
MW484.62 g/mol
LogP2.47
Rot. Bonds10

About N-[(2R)-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

N-[(2R)-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (PubChem CID 25337091) has the molecular formula C25H32N4O4S and a molecular weight of 484.62 g/mol. Its IUPAC name is N-[(2R)-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
PubChem CID25337091
Molecular FormulaC25H32N4O4S
Molecular Weight484.62 g/mol
Exact Mass484.21
IUPAC NameN-[(2R)-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
SMILESCSCC[C@@H](NC(=O)c1ccccc1)C(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C25H32N4O4S/c1-28(25(32)22(12-17-34-2)27-24(31)19-6-4-3-5-7-19)18-23(30)26-20-8-10-21(11-9-20)29-13-15-33-16-14-29/h3-11,22H,12-18H2,1-2H3,(H,26,30)(H,27,31)/t22-/m1/s1
InChIKeyWZCRIXHXOZJYDM-JOCHJYFZSA-N
XLogP2.47
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[(2-benzamido-4-methylsulfanylbutanoyl)-methylamino]acetic acid
CID 119171954
4-tert-butyl-N-[(2S)-4-methylsulfanyl-1-(4-morpholin-4-ylanilino)-1-oxobutan-2-yl]benzamide
CID 25353454
4-chloro-N-[3-methyl-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide
CID 55328563
3-methyl-N-[3-methyl-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide
CID 55328581
3-benzamido-N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55630958
N-[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 71944686
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-(propanoylamino)benzamide
CID 55833793
2-hydroxy-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 51143460
N-[(2S)-1-[4-(4-acetylphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 35012736
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-pyrazol-1-ylpropanamide
CID 134048488
N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 7551211

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of N-[(2R)-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (CID 25337091) is N-[(2R)-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[(2R)-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[(2R)-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The InChIKey is WZCRIXHXOZJYDM-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H32N4O4S/c1-28(25(32)22(12-17-34-2)27-24(31)19-6-4-3-5-7-19)18-23(30)26-20-8-10-21(11-9-20)29-13-15-33-16-14-29/h3-11,22H,12-18H2,1-2H3,(H,26,30)(H,27,31)/t22-/m1/s1.
What are the key properties of N-[(2R)-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
N-[(2R)-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide has a molecular weight of 484.62 g/mol, XLogP of 2.47, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 25337091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).