N-(3-amino-1,2-dithiophen-2-ylbutyl)acetamide

C14H18N2OS2 — CID 57223769

IUPACN-(3-amino-1,2-dithiophen-2-ylbutyl)acetamide
SMILESCC(=O)NC(c1cccs1)C(c1cccs1)C(C)N
InChIInChI=1S/C14H18N2OS2/c1-9(15)13(11-5-3-7-18-11)14(16-10(2)17)12-6-4-8-19-12/h3-9,13-14H,15H2,1-2H3,(H,16,17)
InChIKeyJVGLAWVSQLPXIO-UHFFFAOYSA-N
MW294.45 g/mol
LogP3.12
Rot. Bonds5

About N-(3-amino-1,2-dithiophen-2-ylbutyl)acetamide

N-(3-amino-1,2-dithiophen-2-ylbutyl)acetamide (PubChem CID 57223769) has the molecular formula C14H18N2OS2 and a molecular weight of 294.45 g/mol. Its IUPAC name is N-(3-amino-1,2-dithiophen-2-ylbutyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-1,2-dithiophen-2-ylbutyl)acetamide
PubChem CID57223769
Molecular FormulaC14H18N2OS2
Molecular Weight294.45 g/mol
Exact Mass294.09
IUPAC NameN-(3-amino-1,2-dithiophen-2-ylbutyl)acetamide
SMILESCC(=O)NC(c1cccs1)C(c1cccs1)C(C)N
InChIInChI=1S/C14H18N2OS2/c1-9(15)13(11-5-3-7-18-11)14(16-10(2)17)12-6-4-8-19-12/h3-9,13-14H,15H2,1-2H3,(H,16,17)
InChIKeyJVGLAWVSQLPXIO-UHFFFAOYSA-N
XLogP3.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
3-amino-N-(dithiophen-2-ylmethyl)-2-methylbutanamide;hydrochloride
CID 120501338
1-amino-1-thiophen-2-ylpropan-2-one
CID 55294508
2-amino-N-(1-hydroxypropan-2-yl)-2-thiophen-2-ylacetamide
CID 115286053
2-acetamido-3-methyl-N-(1-thiophen-2-ylethyl)butanamide
CID 18126793
2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 43709179
(2S)-2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 79024579
2-[(3-amino-2-methylbutanoyl)amino]-2-thiophen-2-ylacetic acid
CID 113416393
(2S)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-3-methylbutanoic acid
CID 115286900
N-(2-methyl-1-thiophen-2-ylpropyl)hydroxylamine
CID 82685515
methyl 2-thiophen-2-ylpropanoate
CID 12819459

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-1,2-dithiophen-2-ylbutyl)acetamide?
The IUPAC name of N-(3-amino-1,2-dithiophen-2-ylbutyl)acetamide (CID 57223769) is N-(3-amino-1,2-dithiophen-2-ylbutyl)acetamide.
What is the SMILES notation for N-(3-amino-1,2-dithiophen-2-ylbutyl)acetamide?
The canonical SMILES for N-(3-amino-1,2-dithiophen-2-ylbutyl)acetamide is CC(=O)NC(c1cccs1)C(c1cccs1)C(C)N.
What is the InChIKey of N-(3-amino-1,2-dithiophen-2-ylbutyl)acetamide?
The InChIKey is JVGLAWVSQLPXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS2/c1-9(15)13(11-5-3-7-18-11)14(16-10(2)17)12-6-4-8-19-12/h3-9,13-14H,15H2,1-2H3,(H,16,17).
What are the key properties of N-(3-amino-1,2-dithiophen-2-ylbutyl)acetamide?
N-(3-amino-1,2-dithiophen-2-ylbutyl)acetamide has a molecular weight of 294.45 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-1,2-dithiophen-2-ylbutyl)acetamide is sourced from PubChem (CID 57223769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).