N-(cyclopentylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide

C18H27N3O3S — CID 9055373

IUPACN-(cyclopentylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
SMILESO=C(CN(Cc1cccs1)C[C@@H]1CCCO1)NC(=O)NC1CCCC1
InChIInChI=1S/C18H27N3O3S/c22-17(20-18(23)19-14-5-1-2-6-14)13-21(11-15-7-3-9-24-15)12-16-8-4-10-25-16/h4,8,10,14-15H,1-3,5-7,9,11-13H2,(H2,19,20,22,23)/t15-/m0/s1
InChIKeyGRYQOMCLBLLSKP-HNNXBMFYSA-N
MW365.50 g/mol
LogP2.50
Rot. Bonds7

About N-(cyclopentylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide

N-(cyclopentylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 9055373) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
PubChem CID9055373
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-(cyclopentylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
SMILESO=C(CN(Cc1cccs1)C[C@@H]1CCCO1)NC(=O)NC1CCCC1
InChIInChI=1S/C18H27N3O3S/c22-17(20-18(23)19-14-5-1-2-6-14)13-21(11-15-7-3-9-24-15)12-16-8-4-10-25-16/h4,8,10,14-15H,1-3,5-7,9,11-13H2,(H2,19,20,22,23)/t15-/m0/s1
InChIKeyGRYQOMCLBLLSKP-HNNXBMFYSA-N
XLogP2.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylcarbamoyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055537
N-(methylcarbamoyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055441
2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-(propan-2-ylcarbamoyl)acetamide
CID 9055459
N-(ethylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055379
N-(ethylcarbamoyl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 46823289
2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-(propylcarbamoyl)acetamide
CID 9055471
N-(butylcarbamoyl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 17415344
N-(cyclopentylcarbamoyl)-2-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 49309235
N-[(2,4-dimethylphenyl)carbamoyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055555
2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-prop-2-ynylacetamide
CID 8926089
N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055247
N-(cyclopropylcarbamoyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8678412

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide (CID 9055373) is N-(cyclopentylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide is O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)NC(=O)NC1CCCC1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is GRYQOMCLBLLSKP-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c22-17(20-18(23)19-14-5-1-2-6-14)13-21(11-15-7-3-9-24-15)12-16-8-4-10-25-16/h4,8,10,14-15H,1-3,5-7,9,11-13H2,(H2,19,20,22,23)/t15-/m0/s1.
What are the key properties of N-(cyclopentylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide?
N-(cyclopentylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 365.50 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 9055373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).