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

C15H23N3O3S — CID 9055379

IUPACN-(ethylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
SMILESCCNC(=O)NC(=O)CN(Cc1cccs1)C[C@@H]1CCCO1
InChIInChI=1S/C15H23N3O3S/c1-2-16-15(20)17-14(19)11-18(9-12-5-3-7-21-12)10-13-6-4-8-22-13/h4,6,8,12H,2-3,5,7,9-11H2,1H3,(H2,16,17,19,20)/t12-/m0/s1
InChIKeyFYMAEVLMWWMMHU-LBPRGKRZSA-N
MW325.43 g/mol
LogP1.57
Rot. Bonds7

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

N-(ethylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 9055379) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
PubChem CID9055379
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-(ethylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
SMILESCCNC(=O)NC(=O)CN(Cc1cccs1)C[C@@H]1CCCO1
InChIInChI=1S/C15H23N3O3S/c1-2-16-15(20)17-14(19)11-18(9-12-5-3-7-21-12)10-13-6-4-8-22-13/h4,6,8,12H,2-3,5,7,9-11H2,1H3,(H2,16,17,19,20)/t12-/m0/s1
InChIKeyFYMAEVLMWWMMHU-LBPRGKRZSA-N
XLogP1.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(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-(cyclopropylcarbamoyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055537
N-(cyclopentylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055373
2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-prop-2-ynylacetamide
CID 8926089
N-[(2,4-dimethylphenyl)carbamoyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055555
N-ethyl-3-[[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide
CID 8926142
N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055247
N-[(4-methoxyphenyl)methyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055261

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide (CID 9055379) is N-(ethylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide is CCNC(=O)NC(=O)CN(Cc1cccs1)C[C@@H]1CCCO1.
What is the InChIKey of N-(ethylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is FYMAEVLMWWMMHU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-2-16-15(20)17-14(19)11-18(9-12-5-3-7-21-12)10-13-6-4-8-22-13/h4,6,8,12H,2-3,5,7,9-11H2,1H3,(H2,16,17,19,20)/t12-/m0/s1.
What are the key properties of N-(ethylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide?
N-(ethylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 325.43 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 9055379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).