N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-thiophen-2-ylbutanamide

C17H20N2O2S2 — CID 56826258

IUPACN-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-thiophen-2-ylbutanamide
SMILESNC(=O)CCSc1ccccc1NC(=O)CCCc1cccs1
InChIInChI=1S/C17H20N2O2S2/c18-16(20)10-12-23-15-8-2-1-7-14(15)19-17(21)9-3-5-13-6-4-11-22-13/h1-2,4,6-8,11H,3,5,9-10,12H2,(H2,18,20)(H,19,21)
InChIKeyGBOLCDGVFSPVHT-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.68
Rot. Bonds9

About N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-thiophen-2-ylbutanamide

N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-thiophen-2-ylbutanamide (PubChem CID 56826258) has the molecular formula C17H20N2O2S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-thiophen-2-ylbutanamide
PubChem CID56826258
Molecular FormulaC17H20N2O2S2
Molecular Weight348.49 g/mol
Exact Mass348.10
IUPAC NameN-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-thiophen-2-ylbutanamide
SMILESNC(=O)CCSc1ccccc1NC(=O)CCCc1cccs1
InChIInChI=1S/C17H20N2O2S2/c18-16(20)10-12-23-15-8-2-1-7-14(15)19-17(21)9-3-5-13-6-4-11-22-13/h1-2,4,6-8,11H,3,5,9-10,12H2,(H2,18,20)(H,19,21)
InChIKeyGBOLCDGVFSPVHT-UHFFFAOYSA-N
XLogP3.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]butanamide;hydrochloride
CID 119317704
N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-(methylamino)butanamide;hydrochloride
CID 119773448
N-(2-iodophenyl)-4-thiophen-2-ylbutanamide
CID 26087634
[2-(2-methylsulfanylanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962866
N-[2-(difluoromethoxy)phenyl]-4-thiophen-2-ylbutanamide
CID 78770266
N-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide
CID 39969290
6-thiophen-2-ylhexanamide
CID 137320292
3-amino-N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-2-methylbutanamide
CID 120500378
N-(2-ethylsulfanylphenyl)-2-thiophen-2-ylacetamide
CID 94624110
[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 3-thiophen-2-ylpropanoate
CID 8532178
4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide
CID 78781844
19-[2-(3-carboxypropylsulfanyl)anilino]-19-oxononadecanoic acid
CID 18796193

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-thiophen-2-ylbutanamide (CID 56826258) is N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-thiophen-2-ylbutanamide is NC(=O)CCSc1ccccc1NC(=O)CCCc1cccs1.
What is the InChIKey of N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-thiophen-2-ylbutanamide?
The InChIKey is GBOLCDGVFSPVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S2/c18-16(20)10-12-23-15-8-2-1-7-14(15)19-17(21)9-3-5-13-6-4-11-22-13/h1-2,4,6-8,11H,3,5,9-10,12H2,(H2,18,20)(H,19,21).
What are the key properties of N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-thiophen-2-ylbutanamide?
N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-thiophen-2-ylbutanamide has a molecular weight of 348.49 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 56826258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).