2-methoxy-N-[1-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

C26H35N3O4S — CID 24981030

IUPAC2-methoxy-N-[1-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)NC(CCSC)C(=O)NCC(c1ccccc1OC)N1CCCC1
InChIInChI=1S/C26H35N3O4S/c1-32-23-12-6-4-10-19(23)22(29-15-8-9-16-29)18-27-26(31)21(14-17-34-3)28-25(30)20-11-5-7-13-24(20)33-2/h4-7,10-13,21-22H,8-9,14-18H2,1-3H3,(H,27,31)(H,28,30)
InChIKeySHQSPODCOAIIQV-UHFFFAOYSA-N
MW485.65 g/mol
LogP3.51
Rot. Bonds12

About 2-methoxy-N-[1-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

2-methoxy-N-[1-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (PubChem CID 24981030) has the molecular formula C26H35N3O4S and a molecular weight of 485.65 g/mol. Its IUPAC name is 2-methoxy-N-[1-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[1-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
PubChem CID24981030
Molecular FormulaC26H35N3O4S
Molecular Weight485.65 g/mol
Exact Mass485.23
IUPAC Name2-methoxy-N-[1-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)NC(CCSC)C(=O)NCC(c1ccccc1OC)N1CCCC1
InChIInChI=1S/C26H35N3O4S/c1-32-23-12-6-4-10-19(23)22(29-15-8-9-16-29)18-27-26(31)21(14-17-34-3)28-25(30)20-11-5-7-13-24(20)33-2/h4-7,10-13,21-22H,8-9,14-18H2,1-3H3,(H,27,31)(H,28,30)
InChIKeySHQSPODCOAIIQV-UHFFFAOYSA-N
XLogP3.51
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-N-[1-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Sultopride
CID 5357
5-((2,4-dioxo-5-thiazolidinyl)methyl)-2-methoxy-N-((4-(trifluoromethyl)phenyl)methyl)benzamide
CID 151183
Benzamide, N-((1-ethyl-2-pyrrolidinyl)methyl)-5-(ethylsulfonyl)-2-methoxy-, hydrochloride (1:1)
CID 3082221
PF-429242
CID 23661637
Iodopride
CID 3082754
2-ethoxy-N-{2-[(2-ethoxybenzoyl)amino]ethyl}benzamide
CID 1769368
N-(1-Ethyl-pyrrolidin-2-ylmethyl)-5-iodo-2-methoxy-benzamide
CID 9977544
Penicillin deriv. 36
CID 454969
N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 4797003
N-[1-[(2-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 16288497
2-methoxy-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]benzamide
CID 25161633
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-propylbenzamide
CID 15167693

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-[1-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (CID 24981030) is 2-methoxy-N-[1-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[1-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[1-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is COc1ccccc1C(=O)NC(CCSC)C(=O)NCC(c1ccccc1OC)N1CCCC1.
What is the InChIKey of 2-methoxy-N-[1-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The InChIKey is SHQSPODCOAIIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4S/c1-32-23-12-6-4-10-19(23)22(29-15-8-9-16-29)18-27-26(31)21(14-17-34-3)28-25(30)20-11-5-7-13-24(20)33-2/h4-7,10-13,21-22H,8-9,14-18H2,1-3H3,(H,27,31)(H,28,30).
What are the key properties of 2-methoxy-N-[1-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
2-methoxy-N-[1-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide has a molecular weight of 485.65 g/mol, XLogP of 3.51, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 24981030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).