N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-cyclopentyl-N-(2-morpholin-4-ylethyl)propanamide

C28H39N3O3S — CID 4541913

IUPACN-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-cyclopentyl-N-(2-morpholin-4-ylethyl)propanamide
SMILESO=C(CCC1CCCC1)N(CCN1CCOCC1)CC(=O)N(Cc1ccccc1)Cc1cccs1
InChIInChI=1S/C28H39N3O3S/c32-27(13-12-24-7-4-5-8-24)30(15-14-29-16-18-34-19-17-29)23-28(33)31(22-26-11-6-20-35-26)21-25-9-2-1-3-10-25/h1-3,6,9-11,20,24H,4-5,7-8,12-19,21-23H2
InChIKeyKFSCPQRDVOKKHL-UHFFFAOYSA-N
MW497.71 g/mol
LogP4.41
Rot. Bonds12

About N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-cyclopentyl-N-(2-morpholin-4-ylethyl)propanamide

N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-cyclopentyl-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 4541913) has the molecular formula C28H39N3O3S and a molecular weight of 497.71 g/mol. Its IUPAC name is N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-cyclopentyl-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound NameN-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-cyclopentyl-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID4541913
Molecular FormulaC28H39N3O3S
Molecular Weight497.71 g/mol
Exact Mass497.27
IUPAC NameN-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-cyclopentyl-N-(2-morpholin-4-ylethyl)propanamide
SMILESO=C(CCC1CCCC1)N(CCN1CCOCC1)CC(=O)N(Cc1ccccc1)Cc1cccs1
InChIInChI=1S/C28H39N3O3S/c32-27(13-12-24-7-4-5-8-24)30(15-14-29-16-18-34-19-17-29)23-28(33)31(22-26-11-6-20-35-26)21-25-9-2-1-3-10-25/h1-3,6,9-11,20,24H,4-5,7-8,12-19,21-23H2
InChIKeyKFSCPQRDVOKKHL-UHFFFAOYSA-N
XLogP4.41
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.71
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide
CID 4008750
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)octanamide
CID 3897940
N-benzyl-2-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3575220
2-[dimethylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 42776402
N-benzyl-2-[(3-methoxyphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 1060019
N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3612818
N-benzyl-2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3958361
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)cyclopropanecarboxamide
CID 4256501
4-bromo-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 4063947
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pentanamide
CID 3442164
2-[acetyl(cyclopropylmethyl)amino]-N-benzyl-N-(thiophen-2-ylmethyl)acetamide
CID 4600154
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 42772936

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-cyclopentyl-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-cyclopentyl-N-(2-morpholin-4-ylethyl)propanamide (CID 4541913) is N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-cyclopentyl-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-cyclopentyl-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-cyclopentyl-N-(2-morpholin-4-ylethyl)propanamide is O=C(CCC1CCCC1)N(CCN1CCOCC1)CC(=O)N(Cc1ccccc1)Cc1cccs1.
What is the InChIKey of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-cyclopentyl-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is KFSCPQRDVOKKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O3S/c32-27(13-12-24-7-4-5-8-24)30(15-14-29-16-18-34-19-17-29)23-28(33)31(22-26-11-6-20-35-26)21-25-9-2-1-3-10-25/h1-3,6,9-11,20,24H,4-5,7-8,12-19,21-23H2.
What are the key properties of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-cyclopentyl-N-(2-morpholin-4-ylethyl)propanamide?
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-cyclopentyl-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 497.71 g/mol, XLogP of 4.41, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-cyclopentyl-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 4541913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).