N-tert-butyl-2-[methyl-[2-oxo-2-[2-phenylethyl(thiophen-2-ylmethyl)amino]ethyl]amino]acetamide

C22H31N3O2S — CID 8768453

IUPACN-tert-butyl-2-[methyl-[2-oxo-2-[2-phenylethyl(thiophen-2-ylmethyl)amino]ethyl]amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)CC(=O)N(CCc1ccccc1)Cc1cccs1
InChIInChI=1S/C22H31N3O2S/c1-22(2,3)23-20(26)16-24(4)17-21(27)25(15-19-11-8-14-28-19)13-12-18-9-6-5-7-10-18/h5-11,14H,12-13,15-17H2,1-4H3,(H,23,26)
InChIKeySBYJASDTXCZIOD-UHFFFAOYSA-N
MW401.58 g/mol
LogP3.17
Rot. Bonds9

About N-tert-butyl-2-[methyl-[2-oxo-2-[2-phenylethyl(thiophen-2-ylmethyl)amino]ethyl]amino]acetamide

N-tert-butyl-2-[methyl-[2-oxo-2-[2-phenylethyl(thiophen-2-ylmethyl)amino]ethyl]amino]acetamide (PubChem CID 8768453) has the molecular formula C22H31N3O2S and a molecular weight of 401.58 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl-[2-oxo-2-[2-phenylethyl(thiophen-2-ylmethyl)amino]ethyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl-[2-oxo-2-[2-phenylethyl(thiophen-2-ylmethyl)amino]ethyl]amino]acetamide
PubChem CID8768453
Molecular FormulaC22H31N3O2S
Molecular Weight401.58 g/mol
Exact Mass401.21
IUPAC NameN-tert-butyl-2-[methyl-[2-oxo-2-[2-phenylethyl(thiophen-2-ylmethyl)amino]ethyl]amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)CC(=O)N(CCc1ccccc1)Cc1cccs1
InChIInChI=1S/C22H31N3O2S/c1-22(2,3)23-20(26)16-24(4)17-21(27)25(15-19-11-8-14-28-19)13-12-18-9-6-5-7-10-18/h5-11,14H,12-13,15-17H2,1-4H3,(H,23,26)
InChIKeySBYJASDTXCZIOD-UHFFFAOYSA-N
XLogP3.17
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.58
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 3065791
N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 39911879
N-tert-butyl-2-[[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 8767568
2-[2-aminoethyl(2-phenylethyl)amino]-N-tert-butylacetamide
CID 120872102
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-butyl-N-propylbenzamide
CID 3986046
2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 8808291
2-(4-nitrophenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 9012034
2-[benzylcarbamoyl(propyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 3933760
2-[benzylcarbamoyl(2-methoxyethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4029662
2,2-dimethyl-4-[methyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 65247891
2-[benzylcarbamoyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 3583526
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3,5,5-trimethyl-N-propylhexanamide
CID 4014692

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl-[2-oxo-2-[2-phenylethyl(thiophen-2-ylmethyl)amino]ethyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[methyl-[2-oxo-2-[2-phenylethyl(thiophen-2-ylmethyl)amino]ethyl]amino]acetamide (CID 8768453) is N-tert-butyl-2-[methyl-[2-oxo-2-[2-phenylethyl(thiophen-2-ylmethyl)amino]ethyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[methyl-[2-oxo-2-[2-phenylethyl(thiophen-2-ylmethyl)amino]ethyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[methyl-[2-oxo-2-[2-phenylethyl(thiophen-2-ylmethyl)amino]ethyl]amino]acetamide is CN(CC(=O)NC(C)(C)C)CC(=O)N(CCc1ccccc1)Cc1cccs1.
What is the InChIKey of N-tert-butyl-2-[methyl-[2-oxo-2-[2-phenylethyl(thiophen-2-ylmethyl)amino]ethyl]amino]acetamide?
The InChIKey is SBYJASDTXCZIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2S/c1-22(2,3)23-20(26)16-24(4)17-21(27)25(15-19-11-8-14-28-19)13-12-18-9-6-5-7-10-18/h5-11,14H,12-13,15-17H2,1-4H3,(H,23,26).
What are the key properties of N-tert-butyl-2-[methyl-[2-oxo-2-[2-phenylethyl(thiophen-2-ylmethyl)amino]ethyl]amino]acetamide?
N-tert-butyl-2-[methyl-[2-oxo-2-[2-phenylethyl(thiophen-2-ylmethyl)amino]ethyl]amino]acetamide has a molecular weight of 401.58 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl-[2-oxo-2-[2-phenylethyl(thiophen-2-ylmethyl)amino]ethyl]amino]acetamide is sourced from PubChem (CID 8768453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).