N-(oxolan-2-ylmethyl)-3-[(2-phenylacetyl)amino]-N-(thiophen-2-ylmethyl)propanamide

C21H26N2O3S — CID 134012194

IUPACN-(oxolan-2-ylmethyl)-3-[(2-phenylacetyl)amino]-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(Cc1ccccc1)NCCC(=O)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C21H26N2O3S/c24-20(14-17-6-2-1-3-7-17)22-11-10-21(25)23(15-18-8-4-12-26-18)16-19-9-5-13-27-19/h1-3,5-7,9,13,18H,4,8,10-12,14-16H2,(H,22,24)
InChIKeyRMUSZZJLYKNOBD-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.00
Rot. Bonds9

About N-(oxolan-2-ylmethyl)-3-[(2-phenylacetyl)amino]-N-(thiophen-2-ylmethyl)propanamide

N-(oxolan-2-ylmethyl)-3-[(2-phenylacetyl)amino]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 134012194) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-[(2-phenylacetyl)amino]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-[(2-phenylacetyl)amino]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID134012194
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-(oxolan-2-ylmethyl)-3-[(2-phenylacetyl)amino]-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(Cc1ccccc1)NCCC(=O)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C21H26N2O3S/c24-20(14-17-6-2-1-3-7-17)22-11-10-21(25)23(15-18-8-4-12-26-18)16-19-9-5-13-27-19/h1-3,5-7,9,13,18H,4,8,10-12,14-16H2,(H,22,24)
InChIKeyRMUSZZJLYKNOBD-UHFFFAOYSA-N
XLogP3.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 60717923
N-benzyl-2-[(2-chloroacetyl)-[[(2S)-oxolan-2-yl]methyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 7351254
2-chloro-4-fluoro-N-[3-oxo-3-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]propyl]benzamide
CID 55756885
3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 78810035
N-benzyl-2-[ethylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 7225834
N-benzyl-2-[ethylcarbamoyl(oxolan-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 5164819
4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55773459
N-(oxolan-2-ylmethyl)-2-(propylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 60687494
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 1059704
3-(1,3-dioxoisoindol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 9194353
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
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-(oxolan-2-ylmethyl)-3-[(2-phenylacetyl)amino]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-[(2-phenylacetyl)amino]-N-(thiophen-2-ylmethyl)propanamide (CID 134012194) is N-(oxolan-2-ylmethyl)-3-[(2-phenylacetyl)amino]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-[(2-phenylacetyl)amino]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-[(2-phenylacetyl)amino]-N-(thiophen-2-ylmethyl)propanamide is O=C(Cc1ccccc1)NCCC(=O)N(Cc1cccs1)CC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-[(2-phenylacetyl)amino]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is RMUSZZJLYKNOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c24-20(14-17-6-2-1-3-7-17)22-11-10-21(25)23(15-18-8-4-12-26-18)16-19-9-5-13-27-19/h1-3,5-7,9,13,18H,4,8,10-12,14-16H2,(H,22,24).
What are the key properties of N-(oxolan-2-ylmethyl)-3-[(2-phenylacetyl)amino]-N-(thiophen-2-ylmethyl)propanamide?
N-(oxolan-2-ylmethyl)-3-[(2-phenylacetyl)amino]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 386.52 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-[(2-phenylacetyl)amino]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 134012194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).