N-[2-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-(2-methoxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide

C22H29N3O4S — CID 3231457

IUPACN-[2-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-(2-methoxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCOCCN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC(C)(C)C)c1ccccc1
InChIInChI=1S/C22H29N3O4S/c1-22(2,3)24-21(28)19(16-9-6-5-7-10-16)25(12-13-29-4)18(26)15-23-20(27)17-11-8-14-30-17/h5-11,14,19H,12-13,15H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyBIFKPRLOPQLLCZ-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.61
Rot. Bonds9

About N-[2-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-(2-methoxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-(2-methoxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 3231457) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-[2-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-(2-methoxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-(2-methoxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID3231457
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-[2-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-(2-methoxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCOCCN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC(C)(C)C)c1ccccc1
InChIInChI=1S/C22H29N3O4S/c1-22(2,3)24-21(28)19(16-9-6-5-7-10-16)25(12-13-29-4)18(26)15-23-20(27)17-11-8-14-30-17/h5-11,14,19H,12-13,15H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyBIFKPRLOPQLLCZ-UHFFFAOYSA-N
XLogP2.61
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-(2-methoxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-(2-methoxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide (CID 3231457) is N-[2-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-(2-methoxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-(2-methoxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-(2-methoxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide is COCCN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC(C)(C)C)c1ccccc1.
What is the InChIKey of N-[2-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-(2-methoxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is BIFKPRLOPQLLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-22(2,3)24-21(28)19(16-9-6-5-7-10-16)25(12-13-29-4)18(26)15-23-20(27)17-11-8-14-30-17/h5-11,14,19H,12-13,15H2,1-4H3,(H,23,27)(H,24,28).
What are the key properties of N-[2-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-(2-methoxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-(2-methoxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 431.56 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-(2-methoxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3231457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).