(2S)-N-butyl-3-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]propanamide

C13H20N2O3S — CID 56927752

IUPAC(2S)-N-butyl-3-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]propanamide
SMILESCCCCNC(=O)[C@H](CO)NC(=O)Cc1cccs1
InChIInChI=1S/C13H20N2O3S/c1-2-3-6-14-13(18)11(9-16)15-12(17)8-10-5-4-7-19-10/h4-5,7,11,16H,2-3,6,8-9H2,1H3,(H,14,18)(H,15,17)/t11-/m0/s1
InChIKeyPLRIMNPYOFCMIQ-NSHDSACASA-N
MW284.38 g/mol
LogP0.68
Rot. Bonds8

About (2S)-N-butyl-3-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]propanamide

(2S)-N-butyl-3-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]propanamide (PubChem CID 56927752) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is (2S)-N-butyl-3-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-butyl-3-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]propanamide
PubChem CID56927752
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name(2S)-N-butyl-3-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]propanamide
SMILESCCCCNC(=O)[C@H](CO)NC(=O)Cc1cccs1
InChIInChI=1S/C13H20N2O3S/c1-2-3-6-14-13(18)11(9-16)15-12(17)8-10-5-4-7-19-10/h4-5,7,11,16H,2-3,6,8-9H2,1H3,(H,14,18)(H,15,17)/t11-/m0/s1
InChIKeyPLRIMNPYOFCMIQ-NSHDSACASA-N
XLogP0.68
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.68
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

N-[(2R)-1-hydroxypropan-2-yl]-2-thiophen-2-ylacetamide
CID 39086744
(2R)-N-ethyl-2-[(2-thiophen-2-ylacetyl)amino]propanamide
CID 8750175
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
(2R)-4-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]butanoic acid
CID 107822672
1-butyl-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 115579833
N-(1-chloropropan-2-yl)-2-thiophen-2-ylacetamide
CID 114299702
N-(1-aminoethyl)-2-thiophen-2-ylacetamide
CID 173143442
N-(2-ethylhexyl)-2-thiophen-2-ylacetamide
CID 2916095
(2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]pentanamide
CID 110351245
N-butyl-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
CID 60765676
N-hexyl-4-thiophen-2-ylbutanamide
CID 134055852
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266

Frequently Asked Questions

What is the IUPAC name of (2S)-N-butyl-3-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]propanamide?
The IUPAC name of (2S)-N-butyl-3-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]propanamide (CID 56927752) is (2S)-N-butyl-3-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]propanamide.
What is the SMILES notation for (2S)-N-butyl-3-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]propanamide?
The canonical SMILES for (2S)-N-butyl-3-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]propanamide is CCCCNC(=O)[C@H](CO)NC(=O)Cc1cccs1.
What is the InChIKey of (2S)-N-butyl-3-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]propanamide?
The InChIKey is PLRIMNPYOFCMIQ-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-2-3-6-14-13(18)11(9-16)15-12(17)8-10-5-4-7-19-10/h4-5,7,11,16H,2-3,6,8-9H2,1H3,(H,14,18)(H,15,17)/t11-/m0/s1.
What are the key properties of (2S)-N-butyl-3-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]propanamide?
(2S)-N-butyl-3-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]propanamide has a molecular weight of 284.38 g/mol, XLogP of 0.68, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-butyl-3-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]propanamide is sourced from PubChem (CID 56927752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).