N-(ethylcarbamoyl)-2-(2-phenylsulfanylethylamino)propanamide

C14H21N3O2S — CID 60673400

IUPACN-(ethylcarbamoyl)-2-(2-phenylsulfanylethylamino)propanamide
SMILESCCNC(=O)NC(=O)C(C)NCCSc1ccccc1
InChIInChI=1S/C14H21N3O2S/c1-3-15-14(19)17-13(18)11(2)16-9-10-20-12-7-5-4-6-8-12/h4-8,11,16H,3,9-10H2,1-2H3,(H2,15,17,18,19)
InChIKeyRGLZFKABIDLCND-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.60
Rot. Bonds7

About N-(ethylcarbamoyl)-2-(2-phenylsulfanylethylamino)propanamide

N-(ethylcarbamoyl)-2-(2-phenylsulfanylethylamino)propanamide (PubChem CID 60673400) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-(2-phenylsulfanylethylamino)propanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-(2-phenylsulfanylethylamino)propanamide
PubChem CID60673400
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-(ethylcarbamoyl)-2-(2-phenylsulfanylethylamino)propanamide
SMILESCCNC(=O)NC(=O)C(C)NCCSc1ccccc1
InChIInChI=1S/C14H21N3O2S/c1-3-15-14(19)17-13(18)11(2)16-9-10-20-12-7-5-4-6-8-12/h4-8,11,16H,3,9-10H2,1-2H3,(H2,15,17,18,19)
InChIKeyRGLZFKABIDLCND-UHFFFAOYSA-N
XLogP1.60
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2-phenylsulfanylethylamino)propanoate
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N-(ethylcarbamoyl)-2-[2-(furan-2-yl)ethylamino]propanamide
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(2S)-2-amino-N-(2-phenylsulfanylethyl)propanamide;hydrochloride
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CID 79390894
N-(ethylcarbamoyl)-2-(3-hydroxybutylamino)propanamide
CID 64913519
2,2-difluoro-N-(2-phenylsulfanylethyl)acetamide
CID 103603525
N-(ethylcarbamoyl)-2-(2-pyridin-4-ylethylamino)propanamide
CID 60902698
N-(ethylcarbamoyl)-2-[2-(3-methylphenyl)ethylamino]propanamide
CID 62315197
N-(ethylcarbamoyl)-2-[(2-methoxyphenyl)methylamino]propanamide
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CID 43401425

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-(2-phenylsulfanylethylamino)propanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-(2-phenylsulfanylethylamino)propanamide (CID 60673400) is N-(ethylcarbamoyl)-2-(2-phenylsulfanylethylamino)propanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-(2-phenylsulfanylethylamino)propanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-(2-phenylsulfanylethylamino)propanamide is CCNC(=O)NC(=O)C(C)NCCSc1ccccc1.
What is the InChIKey of N-(ethylcarbamoyl)-2-(2-phenylsulfanylethylamino)propanamide?
The InChIKey is RGLZFKABIDLCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-3-15-14(19)17-13(18)11(2)16-9-10-20-12-7-5-4-6-8-12/h4-8,11,16H,3,9-10H2,1-2H3,(H2,15,17,18,19).
What are the key properties of N-(ethylcarbamoyl)-2-(2-phenylsulfanylethylamino)propanamide?
N-(ethylcarbamoyl)-2-(2-phenylsulfanylethylamino)propanamide has a molecular weight of 295.41 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-(2-phenylsulfanylethylamino)propanamide is sourced from PubChem (CID 60673400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).