4-amino-N-(5-chlorothiophen-2-yl)-2,2-dimethylbutanamide

C10H15ClN2OS — CID 115156873

IUPAC4-amino-N-(5-chlorothiophen-2-yl)-2,2-dimethylbutanamide
SMILESCC(C)(CCN)C(=O)Nc1ccc(Cl)s1
InChIInChI=1S/C10H15ClN2OS/c1-10(2,5-6-12)9(14)13-8-4-3-7(11)15-8/h3-4H,5-6,12H2,1-2H3,(H,13,14)
InChIKeyRXJFLQMPCKOIOM-UHFFFAOYSA-N
MW246.76 g/mol
LogP2.71
Rot. Bonds4

About 4-amino-N-(5-chlorothiophen-2-yl)-2,2-dimethylbutanamide

4-amino-N-(5-chlorothiophen-2-yl)-2,2-dimethylbutanamide (PubChem CID 115156873) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is 4-amino-N-(5-chlorothiophen-2-yl)-2,2-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-(5-chlorothiophen-2-yl)-2,2-dimethylbutanamide
PubChem CID115156873
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name4-amino-N-(5-chlorothiophen-2-yl)-2,2-dimethylbutanamide
SMILESCC(C)(CCN)C(=O)Nc1ccc(Cl)s1
InChIInChI=1S/C10H15ClN2OS/c1-10(2,5-6-12)9(14)13-8-4-3-7(11)15-8/h3-4H,5-6,12H2,1-2H3,(H,13,14)
InChIKeyRXJFLQMPCKOIOM-UHFFFAOYSA-N
XLogP2.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-chlorothiophen-2-yl)-2,2-dimethylbutanamide?
The IUPAC name of 4-amino-N-(5-chlorothiophen-2-yl)-2,2-dimethylbutanamide (CID 115156873) is 4-amino-N-(5-chlorothiophen-2-yl)-2,2-dimethylbutanamide.
What is the SMILES notation for 4-amino-N-(5-chlorothiophen-2-yl)-2,2-dimethylbutanamide?
The canonical SMILES for 4-amino-N-(5-chlorothiophen-2-yl)-2,2-dimethylbutanamide is CC(C)(CCN)C(=O)Nc1ccc(Cl)s1.
What is the InChIKey of 4-amino-N-(5-chlorothiophen-2-yl)-2,2-dimethylbutanamide?
The InChIKey is RXJFLQMPCKOIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c1-10(2,5-6-12)9(14)13-8-4-3-7(11)15-8/h3-4H,5-6,12H2,1-2H3,(H,13,14).
What are the key properties of 4-amino-N-(5-chlorothiophen-2-yl)-2,2-dimethylbutanamide?
4-amino-N-(5-chlorothiophen-2-yl)-2,2-dimethylbutanamide has a molecular weight of 246.76 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-chlorothiophen-2-yl)-2,2-dimethylbutanamide is sourced from PubChem (CID 115156873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).