N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxo-1-phenylpropyl]benzamide

C23H24N2O2S — CID 55373105

IUPACN-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxo-1-phenylpropyl]benzamide
SMILESCCN(Cc1cccs1)C(=O)CC(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N2O2S/c1-2-25(17-20-14-9-15-28-20)22(26)16-21(18-10-5-3-6-11-18)24-23(27)19-12-7-4-8-13-19/h3-15,21H,2,16-17H2,1H3,(H,24,27)
InChIKeyUDNKJNDCOUPCBP-UHFFFAOYSA-N
MW392.52 g/mol
LogP4.66
Rot. Bonds8

About N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxo-1-phenylpropyl]benzamide

N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 55373105) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxo-1-phenylpropyl]benzamide
PubChem CID55373105
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC NameN-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxo-1-phenylpropyl]benzamide
SMILESCCN(Cc1cccs1)C(=O)CC(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N2O2S/c1-2-25(17-20-14-9-15-28-20)22(26)16-21(18-10-5-3-6-11-18)24-23(27)19-12-7-4-8-13-19/h3-15,21H,2,16-17H2,1H3,(H,24,27)
InChIKeyUDNKJNDCOUPCBP-UHFFFAOYSA-N
XLogP4.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(carbamoylamino)-3-phenyl-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 43064243
N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 40591318
N-[4-(diethylamino)-4-oxo-1-phenylbutyl]benzamide
CID 101474890
N-ethyl-2,2-diphenyl-N-(thiophen-2-ylmethyl)acetamide
CID 134014388
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
3-acetamido-N,N-diethyl-3-phenylpropanamide
CID 78777211
4-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 81087639
N-[(1R)-3-[bis(cyanomethyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 95595436
3-(carbamoylamino)-3-(4-chlorophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 43022690
N-[(5-bromothiophen-2-yl)methyl]-3-(carbamoylamino)-N-ethyl-3-phenylpropanamide
CID 42938478
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxo-1-phenylpropyl]benzamide (CID 55373105) is N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxo-1-phenylpropyl]benzamide is CCN(Cc1cccs1)C(=O)CC(NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is UDNKJNDCOUPCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-2-25(17-20-14-9-15-28-20)22(26)16-21(18-10-5-3-6-11-18)24-23(27)19-12-7-4-8-13-19/h3-15,21H,2,16-17H2,1H3,(H,24,27).
What are the key properties of N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxo-1-phenylpropyl]benzamide?
N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 392.52 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 55373105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).