N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)-2-phenylacetamide

C28H32N2O3S — CID 3267689

IUPACN-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)-2-phenylacetamide
SMILESCc1ccc(CN(Cc2ccccc2)C(=O)CN(CC2CCCO2)C(=O)Cc2ccccc2)s1
InChIInChI=1S/C28H32N2O3S/c1-22-14-15-26(34-22)20-29(18-24-11-6-3-7-12-24)28(32)21-30(19-25-13-8-16-33-25)27(31)17-23-9-4-2-5-10-23/h2-7,9-12,14-15,25H,8,13,16-21H2,1H3
InChIKeyJQISDUHTRYQMNV-UHFFFAOYSA-N
MW476.64 g/mol
LogP4.84
Rot. Bonds10

About N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)-2-phenylacetamide

N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)-2-phenylacetamide (PubChem CID 3267689) has the molecular formula C28H32N2O3S and a molecular weight of 476.64 g/mol. Its IUPAC name is N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)-2-phenylacetamide
PubChem CID3267689
Molecular FormulaC28H32N2O3S
Molecular Weight476.64 g/mol
Exact Mass476.21
IUPAC NameN-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)-2-phenylacetamide
SMILESCc1ccc(CN(Cc2ccccc2)C(=O)CN(CC2CCCO2)C(=O)Cc2ccccc2)s1
InChIInChI=1S/C28H32N2O3S/c1-22-14-15-26(34-22)20-29(18-24-11-6-3-7-12-24)28(32)21-30(19-25-13-8-16-33-25)27(31)17-23-9-4-2-5-10-23/h2-7,9-12,14-15,25H,8,13,16-21H2,1H3
InChIKeyJQISDUHTRYQMNV-UHFFFAOYSA-N
XLogP4.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.64
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 4213089
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)octanamide
CID 4023101
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-chloro-N-(oxolan-2-ylmethyl)benzamide
CID 3261144
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3,5,5-trimethyl-N-(oxolan-2-ylmethyl)hexanamide
CID 4212597
N-benzyl-2-[(4-ethylphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 3503868
N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide
CID 3340847
N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 3520558
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)-2-phenylacetamide
CID 4041520
2-[benzenesulfonyl(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 5010137
2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide
CID 119747350
N-benzyl-2-[(2-chloroacetyl)-[[(2S)-oxolan-2-yl]methyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 7351254
N-benzyl-2-[dimethylcarbamoyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 7217168

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)-2-phenylacetamide?
The IUPAC name of N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)-2-phenylacetamide (CID 3267689) is N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)-2-phenylacetamide.
What is the SMILES notation for N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)-2-phenylacetamide?
The canonical SMILES for N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)-2-phenylacetamide is Cc1ccc(CN(Cc2ccccc2)C(=O)CN(CC2CCCO2)C(=O)Cc2ccccc2)s1.
What is the InChIKey of N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)-2-phenylacetamide?
The InChIKey is JQISDUHTRYQMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3S/c1-22-14-15-26(34-22)20-29(18-24-11-6-3-7-12-24)28(32)21-30(19-25-13-8-16-33-25)27(31)17-23-9-4-2-5-10-23/h2-7,9-12,14-15,25H,8,13,16-21H2,1H3.
What are the key properties of N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)-2-phenylacetamide?
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)-2-phenylacetamide has a molecular weight of 476.64 g/mol, XLogP of 4.84, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)-2-phenylacetamide is sourced from PubChem (CID 3267689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).