N-[2-[[1-(4-ethoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide

C23H29N3O5S — CID 52988582

IUPACN-[2-[[1-(4-ethoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide
SMILESCCOc1ccc(NC(=O)C(CCSC)NC(=O)CNC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H29N3O5S/c1-4-31-19-11-7-17(8-12-19)25-23(29)20(13-14-32-3)26-21(27)15-24-22(28)16-5-9-18(30-2)10-6-16/h5-12,20H,4,13-15H2,1-3H3,(H,24,28)(H,25,29)(H,26,27)
InChIKeySWNIMIHMALWUMC-UHFFFAOYSA-N
MW459.57 g/mol
LogP2.70
Rot. Bonds12

About N-[2-[[1-(4-ethoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide

N-[2-[[1-(4-ethoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide (PubChem CID 52988582) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-[2-[[1-(4-ethoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[[1-(4-ethoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide
PubChem CID52988582
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC NameN-[2-[[1-(4-ethoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide
SMILESCCOc1ccc(NC(=O)C(CCSC)NC(=O)CNC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H29N3O5S/c1-4-31-19-11-7-17(8-12-19)25-23(29)20(13-14-32-3)26-21(27)15-24-22(28)16-5-9-18(30-2)10-6-16/h5-12,20H,4,13-15H2,1-3H3,(H,24,28)(H,25,29)(H,26,27)
InChIKeySWNIMIHMALWUMC-UHFFFAOYSA-N
XLogP2.70
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-[[1-(4-ethoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide with MolForge

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Related Compounds

N-(4-ethoxyphenyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 24638591
4-methoxy-N-[(2S)-4-methylsulfanyl-1-oxo-1-(4-phenylanilino)butan-2-yl]benzamide
CID 40810651
N-[(2S)-1-(3-chloro-4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 9468416
4-methoxy-N-[(2S)-1-(3-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 9341786
N-[(2S)-1-(4-ethoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide
CID 8745440
4-methoxy-N-[(2R)-4-methylsulfanyl-1-oxo-1-[4-(1,3-thiazol-2-yl)anilino]butan-2-yl]benzamide
CID 41078869
N-[3-(4-ethoxyanilino)-3-oxopropyl]-4-methoxybenzamide
CID 46755855
4-ethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
CID 9438552
N-[(2R)-1-(4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 2438761
(2S)-2-[(4-ethoxyphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 2044140
methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]-4-methylsulfanylbutanoate
CID 51065735
4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(4-ethoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[[1-(4-ethoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide (CID 52988582) is N-[2-[[1-(4-ethoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[[1-(4-ethoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[[1-(4-ethoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide is CCOc1ccc(NC(=O)C(CCSC)NC(=O)CNC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-[[1-(4-ethoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide?
The InChIKey is SWNIMIHMALWUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-4-31-19-11-7-17(8-12-19)25-23(29)20(13-14-32-3)26-21(27)15-24-22(28)16-5-9-18(30-2)10-6-16/h5-12,20H,4,13-15H2,1-3H3,(H,24,28)(H,25,29)(H,26,27).
What are the key properties of N-[2-[[1-(4-ethoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide?
N-[2-[[1-(4-ethoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide has a molecular weight of 459.57 g/mol, XLogP of 2.70, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(4-ethoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide is sourced from PubChem (CID 52988582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).