N-(cyclopropylcarbamoyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide

C16H23N3O3S — CID 9055537

IUPACN-(cyclopropylcarbamoyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
SMILESO=C(CN(Cc1cccs1)C[C@H]1CCCO1)NC(=O)NC1CC1
InChIInChI=1S/C16H23N3O3S/c20-15(18-16(21)17-12-5-6-12)11-19(9-13-3-1-7-22-13)10-14-4-2-8-23-14/h2,4,8,12-13H,1,3,5-7,9-11H2,(H2,17,18,20,21)/t13-/m1/s1
InChIKeyQRAUULODSZJSSP-CYBMUJFWSA-N
MW337.45 g/mol
LogP1.72
Rot. Bonds7

About N-(cyclopropylcarbamoyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide

N-(cyclopropylcarbamoyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 9055537) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-(cyclopropylcarbamoyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(cyclopropylcarbamoyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
PubChem CID9055537
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC NameN-(cyclopropylcarbamoyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
SMILESO=C(CN(Cc1cccs1)C[C@H]1CCCO1)NC(=O)NC1CC1
InChIInChI=1S/C16H23N3O3S/c20-15(18-16(21)17-12-5-6-12)11-19(9-13-3-1-7-22-13)10-14-4-2-8-23-14/h2,4,8,12-13H,1,3,5-7,9-11H2,(H2,17,18,20,21)/t13-/m1/s1
InChIKeyQRAUULODSZJSSP-CYBMUJFWSA-N
XLogP1.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopentylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055373
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-[(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-(cyclopropylcarbamoyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8678412
N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055247
N-(cyclopentylcarbamoyl)-2-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 49309235

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylcarbamoyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(cyclopropylcarbamoyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide (CID 9055537) is N-(cyclopropylcarbamoyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(cyclopropylcarbamoyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(cyclopropylcarbamoyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide is O=C(CN(Cc1cccs1)C[C@H]1CCCO1)NC(=O)NC1CC1.
What is the InChIKey of N-(cyclopropylcarbamoyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is QRAUULODSZJSSP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N3O3S/c20-15(18-16(21)17-12-5-6-12)11-19(9-13-3-1-7-22-13)10-14-4-2-8-23-14/h2,4,8,12-13H,1,3,5-7,9-11H2,(H2,17,18,20,21)/t13-/m1/s1.
What are the key properties of N-(cyclopropylcarbamoyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide?
N-(cyclopropylcarbamoyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 337.45 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylcarbamoyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 9055537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).