N-(3-methylbutan-2-yl)-2-(2-phenylsulfanylethylamino)acetamide

C15H24N2OS — CID 60698063

IUPACN-(3-methylbutan-2-yl)-2-(2-phenylsulfanylethylamino)acetamide
SMILESCC(C)C(C)NC(=O)CNCCSc1ccccc1
InChIInChI=1S/C15H24N2OS/c1-12(2)13(3)17-15(18)11-16-9-10-19-14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3,(H,17,18)
InChIKeyQRTMYJBBVBDUPG-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.53
Rot. Bonds8

About N-(3-methylbutan-2-yl)-2-(2-phenylsulfanylethylamino)acetamide

N-(3-methylbutan-2-yl)-2-(2-phenylsulfanylethylamino)acetamide (PubChem CID 60698063) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-(2-phenylsulfanylethylamino)acetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-(2-phenylsulfanylethylamino)acetamide
PubChem CID60698063
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-(3-methylbutan-2-yl)-2-(2-phenylsulfanylethylamino)acetamide
SMILESCC(C)C(C)NC(=O)CNCCSc1ccccc1
InChIInChI=1S/C15H24N2OS/c1-12(2)13(3)17-15(18)11-16-9-10-19-14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3,(H,17,18)
InChIKeyQRTMYJBBVBDUPG-UHFFFAOYSA-N
XLogP2.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-3-methylbutan-2-yl]-3-phenylsulfanylpropanamide
CID 94665540
N-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide
CID 94223671
ethyl 2-(2-phenylsulfanylethylamino)acetate
CID 60681841
N-cyclopentyl-2-(2-phenylsulfanylethylamino)acetamide
CID 60661799
2-methyl-3-(2-phenylsulfanylethylamino)butanoic acid
CID 79390894
2-(2-ethoxyethylamino)-N-(3-methylbutan-2-yl)acetamide
CID 61489218
methyl 2-(2-phenylsulfanylethylamino)propanoate
CID 20791940
3-[(2-phenylsulfanylacetyl)amino]butanoic acid
CID 43240764
4-(2-phenylsulfanylethylamino)butanamide
CID 79214062
N-(2-phenylsulfanylethyl)-4-(propan-2-ylamino)butanamide
CID 54881093
2-phenyl-N-(2-phenylsulfanylethyl)propan-1-amine
CID 60664680
2-(4-aminophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 43299357

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-(2-phenylsulfanylethylamino)acetamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-(2-phenylsulfanylethylamino)acetamide (CID 60698063) is N-(3-methylbutan-2-yl)-2-(2-phenylsulfanylethylamino)acetamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-(2-phenylsulfanylethylamino)acetamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-(2-phenylsulfanylethylamino)acetamide is CC(C)C(C)NC(=O)CNCCSc1ccccc1.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-(2-phenylsulfanylethylamino)acetamide?
The InChIKey is QRTMYJBBVBDUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-12(2)13(3)17-15(18)11-16-9-10-19-14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3,(H,17,18).
What are the key properties of N-(3-methylbutan-2-yl)-2-(2-phenylsulfanylethylamino)acetamide?
N-(3-methylbutan-2-yl)-2-(2-phenylsulfanylethylamino)acetamide has a molecular weight of 280.44 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-(2-phenylsulfanylethylamino)acetamide is sourced from PubChem (CID 60698063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).